 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_B3LYPDBJ_augccpVDZ.in
 Output=26_junionone_conformer16_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-93696.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     93710.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:54:56 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:54:56 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Thu Aug 12 19:54:57 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0463269031 Hartrees.
 Nuclear repulsion after empirical dispersion term =      614.7292985747 Hartrees.
 Leave Link  301 at Thu Aug 12 19:54:58 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.83D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 19:54:59 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:54:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:55:00 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.978892095932    
 DIIS: error= 2.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.978892095932     IErMin= 1 ErrMin= 2.53D-03
 ErrMax= 2.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.12D-03 BMatP= 5.12D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.192 Goal=   None    Shift=    0.000
 GapD=    0.192 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.33D-02 MaxDP=4.73D+00              OVMax= 1.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.72D-02    CP:  1.65D+00
 E= -465.983262079093     Delta-E=       -0.004369983161 Rises=F Damp=F
 DIIS: error= 3.84D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.983262079093     IErMin= 2 ErrMin= 3.84D-04
 ErrMax= 3.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-04 BMatP= 5.12D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.84D-03
 Coeff-Com:  0.224D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.223D-01 0.978D+00
 Gap=     0.195 Goal=   None    Shift=    0.000
 RMSDP=1.05D-03 MaxDP=1.57D-01 DE=-4.37D-03 OVMax= 9.25D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.47D-04    CP:  1.67D+00  1.03D+00
 E= -465.982963721360     Delta-E=        0.000298357733 Rises=F Damp=F
 DIIS: error= 8.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.983262079093     IErMin= 2 ErrMin= 3.84D-04
 ErrMax= 8.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.96D-04 BMatP= 1.21D-04
 IDIUse=3 WtCom= 2.55D-01 WtEn= 7.45D-01
 Coeff-Com: -0.786D-02 0.678D+00 0.330D+00
 Coeff-En:   0.000D+00 0.753D+00 0.247D+00
 Coeff:     -0.200D-02 0.734D+00 0.268D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=1.00D-02 DE= 2.98D-04 OVMax= 5.36D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.44D-05    CP:  1.67D+00  1.03D+00  8.46D-01
 E= -465.983354040116     Delta-E=       -0.000390318756 Rises=F Damp=F
 DIIS: error= 1.09D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.983354040116     IErMin= 4 ErrMin= 1.09D-04
 ErrMax= 1.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 1.21D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.09D-03
 Coeff-Com: -0.487D-02 0.250D+00 0.169D-01 0.737D+00
 Coeff-En:   0.000D+00 0.546D-01 0.000D+00 0.945D+00
 Coeff:     -0.487D-02 0.250D+00 0.169D-01 0.738D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=6.11D-05 MaxDP=4.70D-03 DE=-3.90D-04 OVMax= 8.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.85D-05    CP:  1.67D+00  1.03D+00  8.02D-01  1.24D+00
 E= -465.983363505767     Delta-E=       -0.000009465651 Rises=F Damp=F
 DIIS: error= 1.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.983363505767     IErMin= 5 ErrMin= 1.81D-05
 ErrMax= 1.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-07 BMatP= 1.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-02 0.231D-01-0.348D-01 0.367D+00 0.646D+00
 Coeff:     -0.111D-02 0.231D-01-0.348D-01 0.367D+00 0.646D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=1.05D-03 DE=-9.47D-06 OVMax= 1.56D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.17D-06    CP:  1.67D+00  1.03D+00  8.14D-01  1.25D+00  7.72D-01
 E= -465.983363977785     Delta-E=       -0.000000472018 Rises=F Damp=F
 DIIS: error= 4.27D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.983363977785     IErMin= 6 ErrMin= 4.27D-06
 ErrMax= 4.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-08 BMatP= 4.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.413D-03 0.255D-02-0.195D-01 0.171D+00 0.345D+00 0.501D+00
 Coeff:     -0.413D-03 0.255D-02-0.195D-01 0.171D+00 0.345D+00 0.501D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.14D-06 MaxDP=3.57D-04 DE=-4.72D-07 OVMax= 8.10D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.49D-06    CP:  1.67D+00  1.03D+00  8.15D-01  1.25D+00  7.96D-01
                    CP:  9.26D-01
 E= -465.983364006166     Delta-E=       -0.000000028381 Rises=F Damp=F
 DIIS: error= 1.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.983364006166     IErMin= 7 ErrMin= 1.70D-06
 ErrMax= 1.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-09 BMatP= 3.11D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.686D-04-0.141D-02-0.530D-02 0.391D-01 0.862D-01 0.261D+00
 Coeff-Com:  0.620D+00
 Coeff:     -0.686D-04-0.141D-02-0.530D-02 0.391D-01 0.862D-01 0.261D+00
 Coeff:      0.620D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=9.58D-07 MaxDP=6.52D-05 DE=-2.84D-08 OVMax= 3.27D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.61D-07    CP:  1.67D+00  1.03D+00  8.16D-01  1.25D+00  8.02D-01
                    CP:  9.39D-01  9.28D-01
 E= -465.983364008672     Delta-E=       -0.000000002507 Rises=F Damp=F
 DIIS: error= 6.08D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.983364008672     IErMin= 8 ErrMin= 6.08D-07
 ErrMax= 6.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.15D-10 BMatP= 2.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.548D-05-0.109D-02-0.159D-02 0.941D-02 0.234D-01 0.113D+00
 Coeff-Com:  0.373D+00 0.484D+00
 Coeff:     -0.548D-05-0.109D-02-0.159D-02 0.941D-02 0.234D-01 0.113D+00
 Coeff:      0.373D+00 0.484D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=3.53D-07 MaxDP=1.78D-05 DE=-2.51D-09 OVMax= 1.14D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.48D-07    CP:  1.67D+00  1.03D+00  8.16D-01  1.25D+00  7.99D-01
                    CP:  9.46D-01  9.23D-01  7.48D-01
 E= -465.983364009270     Delta-E=       -0.000000000597 Rises=F Damp=F
 DIIS: error= 1.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.983364009270     IErMin= 9 ErrMin= 1.39D-07
 ErrMax= 1.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-11 BMatP= 5.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.531D-05-0.284D-03-0.676D-05-0.912D-03-0.731D-03 0.173D-01
 Coeff-Com:  0.864D-01 0.213D+00 0.685D+00
 Coeff:      0.531D-05-0.284D-03-0.676D-05-0.912D-03-0.731D-03 0.173D-01
 Coeff:      0.864D-01 0.213D+00 0.685D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=8.83D-08 MaxDP=6.60D-06 DE=-5.97D-10 OVMax= 1.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.33D-08    CP:  1.67D+00  1.03D+00  8.16D-01  1.25D+00  8.00D-01
                    CP:  9.47D-01  9.26D-01  7.88D-01  8.94D-01
 E= -465.983364009342     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 3.53D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.983364009342     IErMin=10 ErrMin= 3.53D-08
 ErrMax= 3.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-12 BMatP= 2.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-05-0.858D-04 0.471D-04-0.688D-03-0.105D-02 0.363D-02
 Coeff-Com:  0.230D-01 0.739D-01 0.295D+00 0.606D+00
 Coeff:      0.260D-05-0.858D-04 0.471D-04-0.688D-03-0.105D-02 0.363D-02
 Coeff:      0.230D-01 0.739D-01 0.295D+00 0.606D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=1.72D-08 MaxDP=9.16D-07 DE=-7.23D-11 OVMax= 2.40D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.34D-08    CP:  1.67D+00  1.03D+00  8.16D-01  1.25D+00  8.00D-01
                    CP:  9.48D-01  9.27D-01  7.93D-01  9.17D-01  9.53D-01
 E= -465.983364009328     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 1.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.983364009342     IErMin=11 ErrMin= 1.37D-08
 ErrMax= 1.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-13 BMatP= 1.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.600D-06-0.825D-05 0.221D-04-0.224D-03-0.428D-03-0.183D-03
 Coeff-Com:  0.914D-03 0.109D-01 0.604D-01 0.286D+00 0.643D+00
 Coeff:      0.600D-06-0.825D-05 0.221D-04-0.224D-03-0.428D-03-0.183D-03
 Coeff:      0.914D-03 0.109D-01 0.604D-01 0.286D+00 0.643D+00
 Gap=     0.192 Goal=   None    Shift=    0.000
 RMSDP=6.31D-09 MaxDP=3.33D-07 DE= 1.41D-11 OVMax= 7.25D-08

 SCF Done:  E(RB3LYP) =  -465.983364009     A.U. after   11 cycles
            NFock= 11  Conv=0.63D-08     -V/T= 2.0061
 KE= 4.631433608141D+02 PE=-2.310906199490D+03 EE= 7.670501760916D+02
 Leave Link  502 at Thu Aug 12 19:58:33 2021, MaxMem=  5368709120 cpu:            1702.2 elap:             213.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.96900645D+02

 Leave Link  801 at Thu Aug 12 19:58:33 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 7.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 2.45D-01 9.82D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 4.68D-02 7.47D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 5.28D-03 2.38D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 3.75D-04 4.02D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 2.57D-05 7.11D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 7.40D-07 1.45D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 1.54D-08 1.33D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 2.15D-10 1.43D-06.
      9 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.55D-12 2.58D-07.
      5 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 3.92D-14 2.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.173181D+03
      2 -0.542979D+01  0.122332D+03
      3  0.761763D+01 -0.437513D+01  0.105238D+03
 Isotropic polarizability for W=    0.085645      133.58 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.570202D+02 -0.145002D+02  0.426022D+02
      2  -0.143115D+02  0.187488D+02 -0.144349D+02
      3  -0.427086D+02 -0.424858D+01 -0.281673D+02
      4   0.112662D+02 -0.358218D+02 -0.397663D+02
      5   0.338530D+02 -0.404351D+02 -0.817070D+02
      6  -0.169194D+02  0.165851D+01  0.246143D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.436858D+01 -0.338896D+01 -0.908502D+01
      2   0.501590D+02 -0.177945D+02 -0.318129D+02
      3  -0.462775D+01  0.198691D+02  0.150127D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.668741D+00  0.160934D+02 -0.288628D+02
      2   0.874924D+01 -0.228470D+02 -0.389984D+02
      3   0.257665D+02  0.215103D+02  0.235157D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.155808D+01 -0.858718D+01  0.304115D+01
      2  -0.858718D+01  0.397888D+01  0.799940D+00
      3   0.304115D+01  0.799940D+00 -0.834017D+00
 OR G Eigenvalues:    -8.8867     0.1186    10.3549  Iso=    -0.5289
 Eigenvectors:
   (1)   0.770851   0.535919  -0.344354
   (2)   0.216412   0.288104   0.932824
   (3)  -0.599128   0.793591  -0.106106
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5289 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -164.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 1.48D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.97D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.75D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 2.27D-02 5.60D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.30D-03 1.01D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.01D-05 5.96D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.75D-07 6.14D-05.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.29D-09 4.96D-06.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 5.71D-12 2.91D-07.
     13 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.97D-14 1.14D-08.
      2 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.97D-15 3.99D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   225 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 1.07D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 1.07D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.20D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173181D+03 -0.542979D+01  0.761763D+01
      2  -0.542979D+01  0.122332D+03 -0.437513D+01
      3   0.761763D+01 -0.437513D+01  0.105238D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.436858D+01 -0.338896D+01 -0.908502D+01
      2   0.501590D+02 -0.177945D+02 -0.318129D+02
      3  -0.462775D+01  0.198691D+02  0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.570202D+02 -0.145002D+02  0.426022D+02
      2  -0.143115D+02  0.187488D+02 -0.144349D+02
      3  -0.427086D+02 -0.424858D+01 -0.281673D+02
      4   0.112662D+02 -0.358218D+02 -0.397663D+02
      5   0.338530D+02 -0.404351D+02 -0.817070D+02
      6  -0.169194D+02  0.165851D+01  0.246143D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105695D+01 -0.432811D+00 -0.498515D+01  0.116494D+01  0.778537D+00
      2  -0.432811D+00  0.806642D+00  0.272694D+01  0.778537D+00 -0.353465D+01
      3  -0.498515D+01  0.272694D+01  0.171717D+01  0.261722D+01  0.336421D+01
                 6             7             8             9            10 
      1   0.261722D+01 -0.609459D+01  0.291592D+01  0.192540D+01 -0.215404D+02
      2   0.336421D+01  0.291592D+01  0.380573D+01 -0.196111D+01  0.255097D+01
      3  -0.683790D+00  0.192540D+01 -0.196111D+01 -0.246082D+01  0.592934D+01
                11            12            13            14            15 
      1   0.255097D+01  0.592934D+01  0.124136D+02 -0.340370D+01 -0.323960D+01
      2  -0.247428D+01 -0.251076D+01 -0.340370D+01  0.438812D+01 -0.414571D+01
      3  -0.251076D+01 -0.134232D+01 -0.323960D+01 -0.414571D+01  0.231122D+01
                16            17            18            19            20 
      1   0.236121D+02 -0.396792D+01 -0.399577D+01  0.404147D+02 -0.414830D+01
      2  -0.396792D+01 -0.308340D+01  0.185480D+01 -0.414830D+01  0.316144D+01
      3  -0.399577D+01  0.185480D+01  0.712118D+00 -0.694640D+00  0.104153D+01
                21            22            23            24            25 
      1  -0.694640D+00 -0.159782D+02  0.364863D+01  0.196935D+01 -0.743002D+01
      2   0.104153D+01  0.364863D+01  0.137253D+01 -0.170903D+01  0.253612D+01
      3   0.243299D+01  0.196935D+01 -0.170903D+01 -0.286108D+01  0.623267D+01
                26            27            28            29            30 
      1   0.253612D+01  0.623267D+01 -0.543887D+02  0.498727D+01 -0.480996D+01
      2  -0.296630D+01 -0.284204D+01  0.498727D+01 -0.209541D+01 -0.988944D-01
      3  -0.284204D+01  0.552678D+01 -0.480996D+01 -0.988944D-01 -0.207908D+01
                31            32            33            34            35 
      1   0.157948D+02 -0.522138D+01  0.113736D+01 -0.177124D+02 -0.706369D-01
      2  -0.522138D+01 -0.125142D+01  0.126392D+01 -0.706369D-01  0.134375D+01
      3   0.113736D+01  0.126392D+01  0.132941D+01 -0.671784D+01  0.621747D+00
                36            37            38            39            40 
      1  -0.671784D+01  0.509094D+02 -0.677658D+01  0.730143D+01 -0.112050D+02
      2   0.621747D+00 -0.677658D+01  0.100157D+01 -0.339790D+00  0.409073D+01
      3  -0.518394D+01  0.730143D+01 -0.339790D+00  0.269487D+01 -0.646631D+00
                41            42            43            44            45 
      1   0.409073D+01 -0.646631D+00  0.174879D+02 -0.126610D+01  0.573733D+01
      2   0.203751D+01 -0.221098D+01 -0.126610D+01 -0.226909D+01 -0.867059D+00
      3  -0.221098D+01 -0.160536D+01  0.573733D+01 -0.867059D+00  0.290868D+01
                46            47            48            49            50 
      1  -0.370072D+02  0.695115D+01 -0.800220D+01  0.940380D+01 -0.388906D+01
      2   0.695115D+01 -0.157816D+01  0.239773D+01 -0.388906D+01 -0.316001D+01
      3  -0.800220D+01  0.239773D+01 -0.145386D+01  0.390021D+01  0.656639D+00
                51            52            53            54            55 
      1   0.390021D+01 -0.130816D+02  0.369521D+01 -0.269339D+01  0.327916D+02
      2   0.656639D+00  0.369521D+01  0.102397D+01  0.887164D+00 -0.645044D+01
      3   0.101822D+01 -0.269339D+01  0.887164D+00 -0.112211D+01  0.638094D+01
                56            57            58            59            60 
      1  -0.645044D+01  0.638094D+01 -0.230229D+02  0.689110D+01 -0.465266D+01
      2   0.252015D+01 -0.147868D+01  0.689110D+01 -0.446898D+01  0.192198D+01
      3  -0.147868D+01  0.225056D+01 -0.465266D+01  0.192198D+01 -0.189697D+01
                61            62            63            64            65 
      1   0.151949D+02 -0.228236D+01  0.701834D+01  0.364814D+01 -0.438405D+00
      2  -0.228236D+01  0.747407D+00 -0.269156D+01 -0.438405D+00  0.124079D+01
      3   0.701834D+01 -0.269156D+01  0.464057D+01 -0.475234D+01  0.278213D+01
                66            67            68            69            70 
      1  -0.475234D+01 -0.144937D+00  0.272087D+01  0.261277D+01 -0.875639D+01
      2   0.278213D+01  0.272087D+01 -0.145097D+01  0.495551D+01  0.267836D+01
      3   0.687672D+00  0.261277D+01  0.495551D+01 -0.105788D+01  0.317115D+01
                71            72            73            74            75 
      1   0.267836D+01  0.317115D+01  0.718677D+01  0.241510D+01 -0.392516D+01
      2   0.439917D+01 -0.164467D+01  0.241510D+01  0.380508D+00 -0.185541D+01
      3  -0.164467D+01  0.128244D+01 -0.392516D+01 -0.185541D+01 -0.208753D+01
                76            77            78            79            80 
      1   0.352715D+01  0.435415D+00 -0.234107D+01 -0.481026D+01 -0.114575D+01
      2   0.435415D+00 -0.541839D+01  0.340615D+01 -0.114575D+01  0.341557D+01
      3  -0.234107D+01  0.340615D+01  0.690018D+00 -0.208300D+01  0.160742D+01
                81            82            83            84            85 
      1  -0.208300D+01  0.614181D+00  0.164148D+01  0.928788D+00  0.284034D+00
      2   0.160742D+01  0.164148D+01 -0.263395D+01  0.275497D+01 -0.266645D+01
      3  -0.166158D+01  0.928788D+00  0.275497D+01  0.289040D+01  0.239813D+01
                86            87            88            89            90 
      1  -0.266645D+01  0.239813D+01 -0.751946D+00  0.373511D+01  0.292444D+01
      2   0.699281D+00  0.175571D+01  0.373511D+01  0.150360D+01 -0.751244D+00
      3   0.175571D+01 -0.773794D+00  0.292444D+01 -0.751244D+00 -0.160576D+01
                91            92            93            94            95 
      1  -0.914952D+01 -0.202052D+01 -0.226150D+01  0.395663D+00  0.400492D+01
      2  -0.202052D+01  0.400810D+01 -0.325530D+00  0.400492D+01  0.133358D+01
      3  -0.226150D+01 -0.325530D+00  0.175408D+01 -0.457014D+00 -0.181026D+01
                96            97            98            99           100 
      1  -0.457014D+00 -0.353792D+01 -0.615349D+00  0.253865D+00 -0.900275D+01
      2  -0.181026D+01 -0.615349D+00 -0.183035D+01 -0.213190D+01 -0.308821D+01
      3  -0.127343D+01  0.253865D+00 -0.213190D+01  0.454595D+01  0.379127D+01
               101           102           103           104           105 
      1  -0.308821D+01  0.379127D+01 -0.136703D+01 -0.199345D+01  0.101316D+01
      2  -0.244876D+01  0.140983D+01 -0.199345D+01 -0.139274D+01  0.798184D+00
      3   0.140983D+01 -0.233202D+01  0.101316D+01  0.798184D+00 -0.767770D+00
               106           107           108           109           110 
      1   0.913570D+00  0.919878D+00 -0.168645D+01  0.168785D+01 -0.377447D+00
      2   0.919878D+00  0.460176D+00 -0.103971D+01 -0.377447D+00  0.979577D+00
      3  -0.168645D+01 -0.103971D+01  0.200961D+01  0.153663D+01 -0.202663D+00
               111           112           113           114           115 
      1   0.153663D+01  0.484978D+00  0.775008D-01  0.155343D+00  0.782242D+00
      2  -0.202663D+00  0.775008D-01 -0.704419D-01  0.496354D+00 -0.556941D-01
      3   0.318654D+01  0.155343D+00  0.496354D+00 -0.222951D+00  0.132085D+01
               116           117           118           119           120 
      1  -0.556941D-01  0.132085D+01 -0.601582D+01  0.940088D+00 -0.186512D+01
      2   0.119547D+01 -0.108171D+01  0.940088D+00 -0.510982D+00  0.217521D+00
      3  -0.108171D+01  0.645153D+01 -0.186512D+01  0.217521D+00 -0.214988D+01
               121           122           123           124           125 
      1   0.567559D+01 -0.916498D+00  0.453414D+00 -0.280766D+01 -0.897267D-01
      2  -0.916498D+00  0.480408D+00 -0.119443D+01 -0.897267D-01 -0.920197D+00
      3   0.453414D+00 -0.119443D+01  0.154873D+01 -0.380788D+01  0.120429D+01
               126           127           128           129           130 
      1  -0.380788D+01  0.303931D+01 -0.174856D+01 -0.368890D+00 -0.882297D+00
      2   0.120429D+01 -0.174856D+01  0.375997D+01 -0.584602D-01  0.189863D+01
      3  -0.927282D+01 -0.368890D+00 -0.584602D-01  0.387776D+00 -0.191498D+00
               131           132           133           134           135 
      1   0.189863D+01 -0.191498D+00  0.572343D+00 -0.488735D+00 -0.375322D-01
      2  -0.573141D+01 -0.264604D+00 -0.488735D+00  0.871556D+00 -0.849466D+00
      3  -0.264604D+00 -0.660537D+00 -0.375322D-01 -0.849466D+00  0.272471D+00
               136           137           138           139           140 
      1  -0.392115D+01 -0.253200D+01 -0.174390D+01 -0.148703D+01 -0.186759D+01
      2  -0.253200D+01 -0.262285D+01 -0.173626D+01 -0.186759D+01 -0.342246D+01
      3  -0.174390D+01 -0.173626D+01 -0.222827D+01 -0.118577D+01 -0.195634D+01
               141           142           143           144           145 
      1  -0.118577D+01 -0.220100D+01 -0.193593D+01 -0.194303D+01  0.496045D+00
      2  -0.195634D+01 -0.193593D+01 -0.274023D+01 -0.215787D+01  0.103360D+01
      3  -0.149724D+01 -0.194303D+01 -0.215787D+01 -0.283176D+01  0.857545D-01
               146           147           148           149           150 
      1   0.103360D+01  0.857545D-01  0.650373D+00  0.238555D+00 -0.293141D+00
      2   0.573240D+00 -0.425381D+00  0.238555D+00  0.808237D+01 -0.160157D+01
      3  -0.425381D+00 -0.555523D-01 -0.293141D+00 -0.160157D+01  0.156892D+01
               151           152           153           154           155 
      1  -0.225302D+00 -0.310962D+00 -0.551575D-01  0.557606D+01 -0.255015D+00
      2  -0.310962D+00 -0.404634D+01  0.171412D+01 -0.255015D+00  0.141065D+01
      3  -0.551575D-01  0.171412D+01 -0.133334D+01  0.200029D+01  0.380254D+00
               156           157           158           159           160 
      1   0.200029D+01 -0.122466D+01  0.711815D+00 -0.216394D+00  0.158539D+01
      2   0.380254D+00  0.711815D+00 -0.489111D-01 -0.118864D+00  0.133208D+00
      3   0.204465D+01 -0.216394D+00 -0.118864D+00 -0.482572D+00  0.145630D+01
               161           162           163           164           165 
      1   0.133208D+00  0.145630D+01 -0.452796D+01  0.204812D+01  0.328685D+01
      2   0.245424D+00  0.498689D+00  0.204812D+01 -0.236799D+01 -0.196072D+01
      3   0.498689D+00  0.240880D+01  0.328685D+01 -0.196072D+01 -0.336983D+01
               166           167           168           169           170 
      1   0.384112D+00 -0.125054D+01 -0.927958D+00  0.263178D+01 -0.164913D+01
      2  -0.125054D+01  0.194917D+01  0.110760D+01 -0.164913D+01  0.172980D+01
      3  -0.927958D+00  0.110760D+01  0.103677D+01 -0.306829D+01  0.255604D+01
               171           172           173           174           175 
      1  -0.306829D+01 -0.786716D+01  0.210176D+01  0.243755D+01  0.210190D+01
      2   0.255604D+01  0.210176D+01 -0.127370D+01 -0.803687D+00 -0.201948D+01
      3   0.510441D+01  0.243755D+01 -0.803687D+00 -0.172145D+01 -0.700696D+00
               176           177           178           179           180 
      1  -0.201948D+01 -0.700696D+00  0.721652D+01 -0.185372D+01 -0.277648D+01
      2   0.132225D+01  0.176255D+00 -0.185372D+01  0.100479D+01  0.964224D+00
      3   0.176255D+00  0.639514D+00 -0.277648D+01  0.964224D+00  0.232290D+01
               181           182           183           184           185 
      1  -0.260293D+01 -0.135162D+01 -0.102318D+01 -0.324468D+01 -0.176193D+01
      2  -0.135162D+01 -0.110329D+01 -0.983502D+00 -0.176193D+01 -0.313734D+01
      3  -0.102318D+01 -0.983502D+00 -0.120285D+01 -0.186071D+01 -0.213616D+01
               186           187           188           189           190 
      1  -0.186071D+01 -0.152848D+01 -0.110356D+01 -0.213979D+01 -0.450068D+00
      2  -0.213616D+01 -0.110356D+01 -0.200032D+01 -0.128717D+01  0.612435D+00
      3  -0.209857D+01 -0.213979D+01 -0.128717D+01 -0.283049D+01 -0.130559D+00
               191           192           193           194           195 
      1   0.612435D+00 -0.130559D+00  0.188174D+01 -0.176858D+01  0.798822D+00
      2   0.398394D+00 -0.458050D+00 -0.176858D+01  0.540343D+01 -0.333660D+01
      3  -0.458050D+00  0.384209D+00  0.798822D+00 -0.333660D+01  0.283788D+01
               196           197           198           199           200 
      1  -0.643649D+00  0.694064D+00 -0.142064D+01 -0.249147D+00  0.140576D+01
      2   0.694064D+00 -0.329670D+01  0.280874D+01  0.140576D+01  0.865412D+00
      3  -0.142064D+01  0.280874D+01 -0.362419D+01 -0.736875D+00 -0.277209D+00
               201           202           203           204           205 
      1  -0.736875D+00  0.143047D+01  0.117019D+01 -0.651598D-01 -0.210396D+01
      2  -0.277209D+00  0.117019D+01  0.528178D+01 -0.187205D+01  0.281870D+00
      3  -0.111333D+00 -0.651598D-01 -0.187205D+01  0.133107D+01  0.793587D+00
               206           207           208           209           210 
      1   0.281870D+00  0.793587D+00  0.228403D+00 -0.107831D+01  0.419637D+00
      2  -0.162311D+01  0.106714D+01 -0.107831D+01  0.398295D-01 -0.313826D-01
      3   0.106714D+01 -0.686321D+00  0.419637D+00 -0.313826D-01  0.156557D+00
               211           212           213           214           215 
      1  -0.226822D+01 -0.599846D+00 -0.891512D-01  0.820208D+00 -0.120806D+00
      2  -0.599846D+00 -0.629244D+01  0.155063D+01 -0.120806D+00  0.199508D+01
      3  -0.891512D-01  0.155063D+01 -0.119009D+01 -0.269647D+00 -0.108989D+01
               216           217           218           219           220 
      1  -0.269647D+00  0.133427D+01  0.218812D+00 -0.492842D+00  0.116817D+01
      2  -0.108989D+01  0.218812D+00 -0.897749D+00  0.182332D+00  0.145628D+00
      3   0.693119D+00 -0.492842D+00  0.182332D+00 -0.553338D+00  0.632722D-01
               221           222           223           224           225 
      1   0.145628D+00  0.632722D-01 -0.233560D+01 -0.108645D+01  0.103157D+01
      2   0.111333D+01 -0.874886D+00 -0.108645D+01 -0.222494D+01  0.219100D+01
      3  -0.874886D+00  0.968479D+00  0.103157D+01  0.219100D+01 -0.747417D+01
               226           227           228           229           230 
      1   0.104937D+02  0.295807D+01  0.678513D+00  0.127199D+01  0.105596D+01
      2   0.295807D+01  0.178217D+01  0.188329D+00  0.105596D+01  0.834404D+00
      3   0.678513D+00  0.188329D+00  0.117175D+01  0.181158D+00  0.330153D+00
               231           232           233           234           235 
      1   0.181158D+00  0.175370D+01  0.606708D+00  0.121067D+01 -0.640790D+00
      2   0.330153D+00  0.606708D+00  0.696629D+00  0.625701D+00  0.833600D+00
      3   0.256954D+00  0.121067D+01  0.625701D+00  0.122897D+00  0.101531D+01
               236           237           238           239           240 
      1   0.833600D+00  0.101531D+01  0.279168D+01 -0.509966D+00 -0.432755D+00
      2  -0.292132D+01 -0.535193D+00 -0.509966D+00  0.508201D+01  0.144820D+01
      3  -0.535193D+00 -0.107192D+01 -0.432755D+00  0.144820D+01  0.153485D+01
               241           242           243 
      1   0.145010D+01 -0.153615D+00 -0.381271D+00
      2  -0.153615D+00  0.256287D+01  0.179432D+01
      3  -0.381271D+00  0.179432D+01  0.108503D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.114080D+02 -0.552805D+01  0.348361D+00 -0.225214D+01 -0.139042D+02
      2   0.157094D+02 -0.298047D+01  0.549488D+01 -0.653665D+01 -0.498461D+01
      3  -0.690882D+01 -0.340826D+01 -0.591977D+01  0.542757D+01 -0.522623D+01
                 6             7             8             9            10 
      1   0.455087D+01 -0.901767D+00  0.131454D+02  0.332052D+01 -0.125097D+02
      2  -0.203915D+01 -0.339787D+00 -0.114044D+01  0.223545D+01 -0.392952D+02
      3   0.107620D+02 -0.466896D+01  0.134812D+02 -0.959204D-01  0.549261D+01
                11            12            13            14            15 
      1   0.364638D+01  0.211893D+01  0.210326D+01  0.643894D+01 -0.841770D+01
      2   0.883753D+01  0.660900D+01  0.232882D+02  0.788531D+01 -0.612678D+01
      3  -0.835322D+01 -0.396577D+01 -0.115685D+01  0.753334D+01 -0.136664D+02
                16            17            18            19            20 
      1   0.114379D+02 -0.304546D+00  0.322763D-01  0.128712D+02 -0.437783D+01
      2   0.217621D+02 -0.489926D+01 -0.513559D+01  0.410392D+02 -0.551289D+01
      3  -0.454220D+01 -0.148231D+02  0.327402D+01 -0.707383D+01 -0.108608D+01
                21            22            23            24            25 
      1  -0.316655D+01 -0.892727D+01 -0.595807D+01  0.542806D+00 -0.133177D+02
      2   0.585620D+00 -0.222460D+02  0.529352D+01  0.496036D+01 -0.216007D+02
      3   0.133927D+01  0.121620D+02 -0.583739D-01 -0.215682D+01 -0.566592D+00
                26            27            28            29            30 
      1   0.743681D+01  0.278912D+01 -0.131857D+02  0.126863D+01  0.954954D+00
      2   0.554148D+01  0.433691D+01 -0.379285D+02  0.172943D+01 -0.832807D+01
      3  -0.765779D+00 -0.304291D+01  0.831091D+01  0.434340D+01  0.328898D+01
                31            32            33            34            35 
      1   0.359590D+01  0.330966D+01 -0.288482D+01  0.324314D+01  0.210740D+01
      2   0.881382D+01 -0.311317D+01  0.216851D+01 -0.491904D+02  0.351433D+01
      3   0.194475D+02 -0.281123D+01  0.135918D+01  0.110146D+02  0.124583D+01
                36            37            38            39            40 
      1  -0.555411D+00  0.111586D+02 -0.143197D+01 -0.275988D+01 -0.994154D+01
      2  -0.121108D+02  0.434733D+02 -0.359250D+01  0.141714D+02 -0.574596D+01
      3   0.160836D+01  0.152540D+01 -0.686326D+01 -0.247270D+01  0.845570D+01
                41            42            43            44            45 
      1   0.427185D+00 -0.219381D+01 -0.525788D+01  0.116596D+01 -0.113172D+01
      2  -0.174110D+01  0.127759D+01  0.168693D+02  0.313932D+00  0.841426D+01
      3  -0.110902D+02  0.645410D+01 -0.810687D+01  0.436909D+01 -0.154588D+01
                46            47            48            49            50 
      1  -0.995065D+01 -0.125470D+01  0.981361D+01 -0.538740D+00  0.857538D+01
      2  -0.261785D+02  0.482999D+01 -0.197632D+02  0.372481D+01  0.280856D+00
      3  -0.964487D+01  0.101609D+02  0.327629D+01  0.193554D+02  0.105640D+02
                51            52            53            54            55 
      1   0.260694D+01  0.330758D+01  0.146991D+02 -0.417409D+01  0.539459D+01
      2   0.345765D+01 -0.300427D+02 -0.152946D+01 -0.993052D+01  0.220557D+02
      3  -0.243046D+00  0.568774D+00  0.402149D+01 -0.124636D+01  0.309814D+01
                56            57            58            59            60 
      1   0.163434D+01 -0.238280D+01 -0.232197D+01 -0.291094D+01 -0.425965D+01
      2  -0.430383D+01  0.191400D+02 -0.145118D+02  0.591637D+01 -0.119115D+02
      3  -0.166602D+02 -0.260046D+00 -0.620828D+01  0.140837D+02 -0.272025D+01
                61            62            63            64            65 
      1   0.364951D+01 -0.227970D+00  0.254151D+01  0.420173D+01 -0.368745D+01
      2   0.186595D+02 -0.560364D+01  0.175238D+02  0.174288D+02 -0.104607D+02
      3  -0.753003D+00 -0.724095D+01  0.436744D+01  0.301178D+01  0.276560D+01
                66            67            68            69            70 
      1  -0.391226D+01 -0.537301D+01 -0.389207D+01 -0.438350D+01 -0.734742D+01
      2  -0.614380D+01 -0.935035D+01 -0.174073D+02  0.606753D+01 -0.219065D+02
      3   0.696187D+01  0.148792D+02 -0.357228D+01  0.226941D+02  0.612367D+01
                71            72            73            74            75 
      1   0.540223D+00 -0.684072D+00 -0.776148D+00 -0.351103D+01 -0.801128D+01
      2   0.908174D+01 -0.390358D+01  0.670758D+01 -0.189102D+01  0.138163D+02
      3   0.213754D+02 -0.371760D+01  0.378066D+00 -0.557859D+01 -0.195043D+00
                76            77            78            79            80 
      1   0.158117D+01 -0.319437D+01  0.639475D+01 -0.519589D+01  0.119301D+02
      2   0.415722D+01 -0.766612D+01  0.153822D+01  0.244821D+01 -0.129920D+01
      3   0.173587D+01 -0.139558D+02  0.122355D+02  0.937044D-01  0.122656D+02
                81            82            83            84            85 
      1   0.160743D+01  0.325925D+00  0.110963D+02  0.843002D+01  0.147124D+02
      2   0.853162D+01  0.738555D+00 -0.189555D+01 -0.984897D+00 -0.396080D+01
      3   0.899806D+01  0.323368D+01 -0.136847D+02  0.216061D+01 -0.450966D+01
                86            87            88            89            90 
      1   0.509306D+01 -0.768838D+01  0.589614D+01 -0.221076D+01 -0.463727D+01
      2  -0.365926D+01  0.238827D+01 -0.906729D+01  0.273773D+01  0.303628D+01
      3   0.778835D+01 -0.354370D+01  0.335020D+01 -0.788700D+01 -0.101447D+02
                91            92            93            94            95 
      1   0.324269D+01 -0.346070D+01 -0.551589D+01  0.502781D+00  0.373327D+01
      2  -0.110847D+02 -0.144193D+01  0.826901D+01 -0.563865D+00 -0.478574D+01
      3  -0.133710D+01 -0.225884D+02 -0.263099D+01 -0.101939D+02  0.141007D+01
                96            97            98            99           100 
      1  -0.970821D+00  0.529098D+01  0.109539D+02 -0.880411D+01  0.131028D+01
      2  -0.293496D+01 -0.476247D+01 -0.889060D+01  0.165494D+02  0.986057D+00
      3   0.672722D+01 -0.999226D+00  0.875936D+01  0.104128D+02  0.401260D+01
               101           102           103           104           105 
      1  -0.268081D+01 -0.226487D+01 -0.494645D+00 -0.716380D+00 -0.186624D+01
      2  -0.673533D+00  0.445883D+01  0.149890D+01 -0.226451D+00  0.114411D+01
      3  -0.557730D+01 -0.851224D+00 -0.403812D+00 -0.163707D+01 -0.188413D+00
               106           107           108           109           110 
      1  -0.876296D+00  0.483738D+00  0.158927D+01  0.107769D+01  0.263442D+01
      2  -0.215547D+01  0.121046D+01 -0.383156D+01 -0.659558D+01  0.127490D+01
      3  -0.104303D+01  0.733793D+00 -0.480350D+00 -0.351188D+01  0.136932D+01
               111           112           113           114           115 
      1   0.420293D+01  0.550022D+00  0.129588D+01 -0.102860D+01  0.206980D+01
      2  -0.887761D+01  0.732925D+00 -0.162081D+01 -0.102615D+00 -0.894097D+01
      3  -0.289969D+01  0.136684D+01 -0.635531D-01  0.715210D+00 -0.275000D+01
               116           117           118           119           120 
      1   0.264502D+01  0.667594D+01 -0.567426D+00  0.115802D+01 -0.330051D+00
      2   0.218089D+01 -0.163326D+02 -0.583942D+01  0.919865D+00  0.136777D+01
      3   0.168999D+01 -0.474207D+01  0.134705D+01 -0.195350D+01  0.857036D+00
               121           122           123           124           125 
      1   0.293262D+01 -0.492203D+00  0.701741D+00  0.250620D+01  0.514599D+01
      2   0.634586D+01 -0.273610D+00 -0.992337D+00 -0.283327D+01 -0.921641D+00
      3   0.931011D+00  0.100019D-01 -0.106059D+01  0.629909D+00 -0.100602D+01
               126           127           128           129           130 
      1  -0.264500D+01  0.103570D+01 -0.251792D+01  0.236707D+01 -0.936673D+00
      2   0.429897D+01  0.288895D+00  0.579677D-01  0.444996D+00  0.972579D+00
      3   0.161525D+01 -0.156947D+02  0.870617D+01  0.721698D+00  0.103643D+02
               131           132           133           134           135 
      1   0.212724D+01 -0.381068D+01  0.668363D+00 -0.825573D+00  0.139185D+01
      2   0.285671D+00 -0.681205D+00 -0.990109D+00  0.918773D+00 -0.440488D+00
      3  -0.130353D+02 -0.225863D+00 -0.235360D+01  0.291981D+01 -0.137777D+01
               136           137           138           139           140 
      1  -0.283165D+01 -0.217669D+01 -0.542338D+01 -0.162810D+01 -0.229700D+01
      2  -0.146039D+01  0.956549D+00  0.333112D+01  0.340064D+00  0.125639D+01
      3   0.503381D+01 -0.894123D+00  0.132745D+01  0.263728D+01 -0.256108D+01
               141           142           143           144           145 
      1  -0.344757D+01 -0.358787D+01 -0.107674D+01 -0.590503D+01  0.962676D+00
      2   0.204277D+01 -0.220742D+00  0.182394D+01  0.281948D+01 -0.100548D+01
      3  -0.132757D+00  0.295238D+01 -0.643126D+00  0.138128D+01  0.391463D+01
               146           147           148           149           150 
      1   0.193139D+01 -0.101717D+01  0.102968D+01  0.125641D+02 -0.827388D+01
      2  -0.469426D+00  0.589898D+00 -0.594079D+00  0.525538D+00 -0.121444D+01
      3   0.207820D+01 -0.907061D+00  0.523533D+01  0.143606D+02 -0.323377D+01
               151           152           153           154           155 
      1  -0.389357D+00 -0.657497D+01  0.618052D+01 -0.473588D+01  0.278912D+01
      2  -0.591636D+00 -0.136747D+01  0.142440D+01 -0.150317D+02  0.598620D+00
      3  -0.312006D+01 -0.841709D+01  0.303991D+01  0.132772D+02 -0.848358D+00
               156           157           158           159           160 
      1  -0.369812D+01  0.173008D+01 -0.760388D+00 -0.273551D+00 -0.311237D+01
      2  -0.383541D+01  0.309214D+01 -0.120142D+01  0.859734D+00 -0.730156D+01
      3   0.460994D+01 -0.207306D+00  0.131602D+01 -0.739884D+00  0.413330D+01
               161           162           163           164           165 
      1   0.976639D+00 -0.344453D+01 -0.414447D+01 -0.172725D-01  0.509222D+01
      2  -0.653064D+00 -0.458791D+01 -0.575775D+00  0.203446D+01  0.411590D+01
      3  -0.105327D+01  0.377398D+01 -0.386647D+01 -0.307491D+01  0.169363D+01
               166           167           168           169           170 
      1   0.647747D+00  0.393392D+00 -0.251868D+01  0.408991D+01 -0.826550D+00
      2  -0.976755D+00 -0.601646D+00 -0.562369D+00 -0.202068D+01 -0.234862D+01
      3   0.109631D+01  0.173998D+01 -0.340276D+00  0.447511D+01  0.867750D+00
               171           172           173           174           175 
      1  -0.748300D+01 -0.372314D+01  0.937963D+00  0.281517D+01  0.149806D+01
      2  -0.622634D+01 -0.130342D+02  0.451762D+01  0.110344D+02  0.389165D+01
      3  -0.912046D+00 -0.163014D+00 -0.594926D+01 -0.112534D+01 -0.409866D+01
               176           177           178           179           180 
      1  -0.526520D+00 -0.160797D+01  0.357227D+01  0.168844D+00 -0.290164D+01
      2  -0.165403D+01 -0.367616D+01  0.118932D+02 -0.440923D+01 -0.118796D+02
      3   0.365883D+01 -0.146100D+00 -0.880041D+00  0.328167D+01  0.133985D+01
               181           182           183           184           185 
      1   0.184838D+01  0.204005D+01  0.117177D+01  0.206614D+01  0.562160D+01
      2   0.202215D+01  0.244832D+01  0.487091D+01  0.327599D+01  0.692519D+01
      3  -0.639690D+01 -0.603165D+01 -0.455306D+01 -0.603360D+01 -0.150524D+02
               186           187           188           189           190 
      1   0.156307D+01  0.221049D+01  0.436227D+01  0.214368D+01 -0.341010D+00
      2   0.743420D+01  0.427680D+01  0.412158D+01  0.892550D+01  0.962198D+00
      3  -0.924622D+01 -0.455474D+01 -0.957635D+01 -0.615446D+01  0.271164D+01
               191           192           193           194           195 
      1   0.125202D+00 -0.139539D+00 -0.210057D+00 -0.166498D+01 -0.277074D+01
      2   0.183765D+01 -0.295184D+00 -0.482122D+00  0.110854D+02 -0.103027D+02
      3   0.931655D+00 -0.156733D+01 -0.178557D+01  0.182053D+02 -0.114571D+02
               196           197           198           199           200 
      1   0.950640D+00  0.174681D+01  0.253139D+01  0.127039D+00 -0.147702D+01
      2   0.240902D+01 -0.959123D+01  0.119128D+02 -0.367038D+00  0.156920D+01
      3   0.494471D+00 -0.123912D+02  0.927240D+01  0.685514D+00 -0.202832D+00
               201           202           203           204           205 
      1  -0.395723D+00 -0.285118D+01 -0.607448D+01 -0.131042D+01 -0.563627D+01
      2  -0.382070D+00  0.237938D+01  0.125758D+01  0.472682D+00 -0.282477D+01
      3   0.272257D+00  0.274006D+01 -0.199495D+01 -0.186726D+00 -0.143181D+01
               206           207           208           209           210 
      1   0.255745D+01 -0.122873D+01  0.100867D+01  0.503872D-03 -0.936925D-01
      2  -0.185002D-01  0.447630D+00  0.251347D+01 -0.525847D+00  0.499865D+00
      3   0.520361D+00 -0.106703D+01  0.374581D+01  0.743061D+00 -0.198061D+00
               211           212           213           214           215 
      1  -0.835403D+00  0.608270D+00 -0.361654D+01 -0.192106D+01  0.209702D+00
      2  -0.536294D+00  0.379599D+01 -0.240020D+01 -0.396749D+01 -0.264079D+01
      3   0.719259D+01  0.137801D+02 -0.341163D+01 -0.127311D+01 -0.428432D+01
               216           217           218           219           220 
      1   0.692824D+00 -0.436920D+00 -0.371188D+00  0.143027D+01 -0.134526D+01
      2   0.104303D+01 -0.113422D+01  0.795937D+00 -0.181397D+01  0.207933D+01
      3   0.236484D+01 -0.430787D+00  0.267906D+01 -0.175070D+01  0.346940D+00
               221           222           223           224           225 
      1   0.917653D+00 -0.194247D+01 -0.270530D+01 -0.271721D+01  0.133847D+02
      2  -0.284160D+01  0.310696D+01  0.138668D+01  0.777548D+01 -0.257728D+02
      3  -0.417257D+01  0.280495D+01 -0.673836D-01  0.577437D+01 -0.761602D+01
               226           227           228           229           230 
      1  -0.237826D+01 -0.683285D+00 -0.229777D+01 -0.770533D+00 -0.782651D+00
      2   0.639623D+01  0.179087D+01  0.680968D+01  0.157080D+01  0.159658D+01
      3   0.395607D+01 -0.516759D+01  0.599570D+00  0.894340D+00 -0.135021D+01
               231           232           233           234           235 
      1  -0.140280D+01 -0.116670D+01 -0.523710D-01 -0.291833D+00 -0.392172D+00
      2   0.143973D+01  0.346075D+01  0.197280D+01  0.104234D+01  0.301693D+01
      3  -0.100187D+01  0.149228D+00 -0.234715D+01 -0.109396D+01 -0.599228D+01
               236           237           238           239           240 
      1   0.391358D+01  0.266368D+01  0.166899D+01 -0.574250D+01 -0.430834D+01
      2  -0.264007D+01 -0.256834D+01 -0.658947D+00  0.567246D+01  0.458601D+01
      3   0.129805D+02  0.437413D+01  0.691711D+01 -0.205843D+02 -0.623835D+01
               241           242           243 
      1  -0.191300D+00 -0.429431D+01 -0.318055D+01
      2  -0.996633D+00  0.683519D+01  0.379741D+01
      3   0.312525D+01 -0.108704D+02 -0.821109D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150710D+02 -0.896060D+00  0.843886D+01 -0.612974D+01  0.123078D+01
      2   0.541193D+01 -0.676060D+01 -0.243076D+01 -0.125461D+01 -0.188323D+02
      3  -0.204829D+02  0.765666D+01 -0.600811D+01  0.738435D+01  0.176015D+02
      4  -0.637827D+00 -0.354552D+01 -0.213740D+02 -0.336416D+01  0.135156D+02
      5   0.159253D+02 -0.124979D+02 -0.171215D+02 -0.113468D+02 -0.834335D+01
      6  -0.152058D+02  0.132143D+02  0.110796D+02  0.732534D+01  0.140687D+02
                 6             7             8             9            10 
      1  -0.182713D+02  0.598515D+01 -0.203178D+02 -0.123919D+01 -0.200906D+02
      2   0.234001D+02 -0.148469D+01  0.301039D+02  0.263465D+01  0.795302D+01
      3  -0.512880D+01 -0.450047D+01 -0.978608D+01 -0.139546D+01  0.121376D+02
      4  -0.325952D+01 -0.240928D+02 -0.785340D+00  0.136753D+02  0.302218D+01
      5   0.785506D+01 -0.191017D+02  0.141094D+02  0.139257D+02 -0.307995D+02
      6   0.128177D+01  0.127850D+02 -0.346342D+01 -0.774166D+01  0.105324D+02
                11            12            13            14            15 
      1   0.386312D+01 -0.211191D+02  0.116867D+02  0.998970D+01  0.162126D+02
      2  -0.336390D+00  0.611470D+01 -0.521312D+01  0.303198D+01 -0.823313D+01
      3  -0.352673D+01  0.150044D+02 -0.647356D+01 -0.130217D+02 -0.797942D+01
      4   0.851249D+01  0.141199D+02  0.102250D+02 -0.248867D+02  0.161187D+02
      5   0.113755D+02  0.471665D+01  0.134104D+02  0.208641D+02 -0.100687D+02
      6  -0.108976D+02 -0.349139D+01  0.150752D+01 -0.545883D+00 -0.780778D+01
                16            17            18            19            20 
      1  -0.228764D+02  0.199849D+02 -0.186385D+01  0.367371D+02  0.474480D+01
      2   0.240964D+01 -0.190434D+02 -0.480888D+01 -0.123574D+02 -0.758970D+01
      3   0.204668D+02 -0.941448D+00  0.667273D+01 -0.243797D+02  0.284490D+01
      4   0.176695D+02  0.101004D+02 -0.825679D+01  0.124089D+01 -0.531628D+01
      5   0.166475D+02 -0.100392D+02 -0.832534D+00  0.213699D+01 -0.147770D+01
      6  -0.898505D+01  0.563094D-01  0.214394D+01 -0.580509D+01  0.340569D+01
                21            22            23            24            25 
      1   0.556175D+01  0.238478D+01 -0.411149D+01 -0.816523D+01  0.291201D+02
      2   0.471577D+01 -0.402202D+01 -0.603486D+01 -0.467242D+00  0.542474D+01
      3  -0.102775D+02  0.163724D+01  0.101464D+02  0.863247D+01 -0.345448D+02
      4  -0.314099D+01 -0.758021D+01 -0.297964D+01  0.203001D+01 -0.130679D+02
      5  -0.543751D+01 -0.595242D+01 -0.852514D-01  0.711901D+01 -0.156091D+02
      6   0.414039D+01 -0.604775D-01 -0.633152D+01  0.274909D+01  0.532511D+01
                26            27            28            29            30 
      1  -0.121280D+02  0.204055D+02 -0.112226D+03  0.782895D+01 -0.130003D+02
      2   0.758264D+01  0.988981D+01  0.444271D+02 -0.589643D+01  0.467299D+01
      3   0.454534D+01 -0.302953D+02  0.677986D+02 -0.193252D+01  0.832734D+01
      4   0.712150D+01  0.949947D+01  0.135573D+02 -0.125397D+02  0.496554D+00
      5   0.109976D+02 -0.186312D+02 -0.408646D+01 -0.124359D+01 -0.108508D+02
      6   0.175560D+00 -0.935543D+00  0.866146D+01  0.359569D+01  0.218314D+01
                31            32            33            34            35 
      1   0.408271D+02 -0.468663D+01  0.283172D+01 -0.463868D+02 -0.243641D+01
      2  -0.193442D+02  0.355957D+01  0.660025D+00  0.128702D+02  0.335521D+01
      3  -0.214829D+02  0.112707D+01 -0.349174D+01  0.335166D+02 -0.918803D+00
      4  -0.101149D+02 -0.267880D+00  0.146650D+01  0.755470D+01 -0.442218D+01
      5   0.763775D+01  0.316009D+01  0.176755D+01 -0.978220D+01 -0.134853D+01
      6   0.165784D+01  0.926283D+01 -0.108253D+01  0.114087D+01  0.408003D+01
                36            37            38            39            40 
      1  -0.303221D+02  0.151932D+03 -0.233823D+02  0.311887D+02 -0.197685D+02
      2  -0.232212D-01 -0.669625D+02  0.116274D+02 -0.113485D+02  0.516759D+01
      3   0.303454D+02 -0.849695D+02  0.117549D+02 -0.198402D+02  0.146009D+02
      4   0.273225D+01 -0.420282D+02  0.138443D+02 -0.563535D+01  0.157355D+02
      5  -0.155258D+02  0.256045D+02 -0.179639D+01  0.214133D+02  0.361497D+01
      6   0.512837D+01 -0.123609D+02 -0.213348D+01 -0.359124D+01 -0.166965D+01
                41            42            43            44            45 
      1   0.109908D+02 -0.104589D+02  0.415220D+02 -0.106034D+02  0.103246D+02
      2  -0.950169D+01  0.402455D+01 -0.189658D+02  0.909959D+01 -0.755168D+01
      3  -0.148911D+01  0.643437D+01 -0.225562D+02  0.150384D+01 -0.277296D+01
      4   0.100765D+02 -0.686274D+01 -0.638731D+01 -0.781615D+01 -0.433900D+01
      5  -0.892637D+01 -0.181772D+01  0.283764D+02 -0.499824D+01  0.795785D+01
      6   0.609189D+01  0.395517D+01 -0.940120D+01  0.462776D+01  0.295016D+00
                46            47            48            49            50 
      1  -0.132080D+03  0.376183D+02 -0.272611D+02  0.535847D+02 -0.223167D+02
      2   0.616097D+02 -0.185813D+02  0.154740D+02 -0.335193D+02  0.311087D+01
      3   0.704700D+02 -0.190370D+02  0.117871D+02 -0.200654D+02  0.192058D+02
      4   0.637596D+02 -0.327647D+02  0.184368D+02 -0.364588D+02 -0.207035D+02
      5  -0.466341D+02  0.145768D+02 -0.279640D+02  0.289643D+02  0.291406D+01
      6   0.189074D+02 -0.651429D+01  0.202709D+01  0.822300D+00  0.630506D+01
                51            52            53            54            55 
      1   0.174235D+02 -0.596796D+02  0.157969D+02 -0.177625D+02  0.157834D+03
      2  -0.136245D+02  0.296443D+02 -0.319923D+01  0.576431D+01 -0.777448D+02
      3  -0.379900D+01  0.300353D+02 -0.125977D+02  0.119982D+02 -0.800891D+02
      4   0.307681D+01  0.357101D+02  0.860411D+00  0.740457D+01 -0.647101D+02
      5   0.243814D+01 -0.142466D+02  0.529831D+01 -0.149424D+02  0.424622D+02
      6  -0.659610D+01  0.184855D+01  0.123279D+01  0.585530D+01 -0.101527D+02
                56            57            58            59            60 
      1  -0.380186D+02  0.293814D+02 -0.932671D+02  0.275998D+02 -0.150522D+02
      2   0.137362D+02 -0.180552D+02  0.386646D+02 -0.169332D+01  0.882832D+01
      3   0.242824D+02 -0.113263D+02  0.546025D+02 -0.259065D+02  0.622389D+01
      4   0.380767D+02 -0.135237D+02  0.663871D+02 -0.421735D+02  0.155674D+02
      5  -0.114535D+02  0.315730D+02 -0.277129D+02  0.129283D+02 -0.162871D+02
      6   0.507825D+01 -0.611244D+01  0.113887D+02 -0.757073D+01  0.121099D+02
                61            62            63            64            65 
      1   0.588529D+02 -0.673701D+01  0.269993D+02 -0.133290D+02  0.119313D+01
      2  -0.342564D+02  0.444826D+01 -0.222185D+02  0.521319D+01  0.202293D+01
      3  -0.245965D+02  0.228875D+01 -0.478083D+01  0.811579D+01 -0.321605D+01
      4  -0.231054D+02  0.107125D+02 -0.211145D+02  0.179234D+01 -0.842530D+01
      5   0.535800D+02 -0.195456D+02  0.379467D+02  0.367378D+02 -0.212860D+02
      6  -0.107873D+02  0.113083D+02 -0.102244D+02 -0.114158D+02  0.316495D+01
                66            67            68            69            70 
      1   0.305273D+02 -0.427156D+01 -0.642424D+01 -0.295069D+02  0.448280D+02
      2  -0.121729D+02  0.666532D+01  0.554129D+01  0.197628D+02 -0.175907D+02
      3  -0.183543D+02 -0.239377D+01  0.882950D+00  0.974405D+01 -0.272374D+02
      4  -0.237956D+02 -0.172341D+02  0.797021D+01 -0.280644D+02 -0.255383D+02
      5  -0.691425D+01 -0.199367D+02 -0.306119D+02  0.458745D+01 -0.212830D+02
      6  -0.228641D+00 -0.145283D+01  0.112813D+02 -0.112384D+02  0.346350D+01
                71            72            73            74            75 
      1  -0.314814D+02 -0.114293D+02 -0.184130D+02 -0.150853D+02  0.228096D+02
      2   0.222608D+02  0.548624D+01  0.112894D+02  0.825736D+01  0.306280D+01
      3   0.922068D+01  0.594307D+01  0.712361D+01  0.682793D+01 -0.258724D+02
      4  -0.252673D+02  0.950757D+01 -0.251025D+02 -0.879113D+01  0.145272D+02
      5   0.834033D+01 -0.643792D+01  0.269205D+02  0.137070D+02 -0.323757D+01
      6  -0.128457D+02  0.321139D+01  0.122665D+02  0.109058D+02  0.240100D+01
                76            77            78            79            80 
      1  -0.134854D+02 -0.890920D+01  0.132856D+02  0.122733D+02  0.749295D+01
      2   0.102491D+02  0.135136D+01 -0.147995D+02  0.437032D+01 -0.659913D+01
      3   0.323630D+01  0.755784D+01  0.151386D+01 -0.166437D+02 -0.893821D+00
      4  -0.838454D+01  0.234131D+02 -0.102475D+02  0.956215D+01 -0.519079D+01
      5   0.177242D+02 -0.171003D+02 -0.549280D+01  0.842398D+00 -0.602678D+01
      6   0.462134D+00 -0.117884D+02  0.259535D+01  0.375416D+01 -0.160120D+01
                81            82            83            84            85 
      1   0.147675D+02  0.515591D+01 -0.127774D+02  0.436303D+01 -0.888216D+01
      2  -0.359863D+01 -0.742856D+01  0.196189D+02 -0.128268D+02  0.113769D+02
      3  -0.111689D+02  0.227265D+01 -0.684145D+01  0.846381D+01 -0.249475D+01
      4  -0.161170D+01 -0.584019D+01 -0.517658D+01 -0.119833D+02  0.369418D+00
      5   0.697671D+00 -0.613862D+01 -0.128261D+02 -0.115336D+02 -0.131156D+02
      6   0.361161D+01 -0.606468D+01 -0.142126D+02 -0.140437D+02 -0.997348D+01
                86            87            88            89            90 
      1   0.504490D+01 -0.364810D+01  0.103815D+02 -0.433355D+01 -0.129467D+02
      2  -0.296047D+01 -0.281196D+00 -0.188340D+02 -0.307530D+01  0.959133D+01
      3  -0.208443D+01  0.392929D+01  0.845251D+01  0.740885D+01  0.335537D+01
      4   0.515419D+01 -0.110469D+02 -0.113441D+02 -0.162600D+02 -0.879633D+01
      5  -0.556895D+01  0.276185D+01 -0.151221D+02 -0.281368D+01  0.369807D+01
      6  -0.234021D+01 -0.160782D+01 -0.144129D+02 -0.117333D+01  0.128587D+01
                91            92            93            94            95 
      1  -0.612674D+02 -0.306598D+02 -0.142309D+02 -0.116665D+02  0.212915D+02
      2   0.259612D+02  0.256766D+02  0.113938D+02  0.142841D+02 -0.729250D+01
      3   0.353063D+02  0.498324D+01  0.283704D+01 -0.261754D+01 -0.139990D+02
      4  -0.251997D+02  0.192183D+02 -0.684035D+01  0.232650D+02  0.189200D+02
      5  -0.130060D+02 -0.381304D+01  0.133274D+02 -0.469379D+01 -0.125570D+02
      6  -0.603881D+01  0.111894D+01  0.678959D+01 -0.189870D+01 -0.114790D+02
                96            97            98            99           100 
      1   0.262340D+01 -0.233755D+02 -0.269819D+00  0.185849D+02  0.489370D+02
      2  -0.807700D+01  0.113613D+02 -0.123342D+02 -0.362433D+01 -0.257342D+02
      3   0.545360D+01  0.120141D+02  0.126040D+02 -0.149606D+02 -0.232029D+02
      4  -0.104818D+02 -0.961861D+01 -0.100465D+02 -0.106343D+02  0.359145D+02
      5  -0.502626D+01  0.300827D+01 -0.124815D+02  0.298061D+02 -0.353568D+02
      6  -0.329914D+00  0.122084D+01 -0.786917D+01  0.142298D+02 -0.140391D+02
               101           102           103           104           105 
      1   0.119825D+02 -0.150974D+02  0.896759D+01  0.542687D+01 -0.245258D+01
      2  -0.292547D+01  0.103042D+02 -0.128406D+01  0.304564D+01  0.161992D+01
      3  -0.905703D+01  0.479316D+01 -0.768353D+01 -0.847251D+01  0.832662D+00
      4   0.226121D+02 -0.148393D+02  0.186092D+02  0.131430D+02 -0.762678D+01
      5  -0.127538D+02  0.215338D+02 -0.920855D+01 -0.729575D+01  0.611915D+01
      6  -0.963213D+01  0.894943D+01 -0.791760D+01 -0.509709D+01  0.592107D+01
               106           107           108           109           110 
      1  -0.986556D+01 -0.237957D+01  0.378823D+01 -0.429929D+01  0.554832D+01
      2   0.721041D+01  0.286495D+01 -0.662532D+01 -0.198991D+01 -0.352945D+01
      3   0.265514D+01 -0.485379D+00  0.283709D+01  0.628920D+01 -0.201886D+01
      4  -0.905542D+01 -0.544177D+01  0.910833D+01 -0.248855D+00 -0.130787D+01
      5   0.167458D+02  0.759996D+01 -0.141087D+02 -0.833575D+00 -0.124762D+01
      6   0.708303D+01  0.524145D+01 -0.778234D+01 -0.447088D+01  0.333149D+01
               111           112           113           114           115 
      1  -0.155286D+02  0.176509D+01 -0.420537D+01  0.274888D+00 -0.106548D+02
      2  -0.261169D+01 -0.139445D+01  0.104394D+01 -0.116257D+01  0.136731D+01
      3   0.181403D+02 -0.370634D+00  0.316143D+01  0.887679D+00  0.928752D+01
      4  -0.286789D+01  0.211601D+01 -0.123763D+01 -0.426639D+00 -0.285546D+01
      5  -0.263859D+01 -0.171624D+01  0.884947D+00  0.301852D+00  0.234699D+01
      6  -0.788466D+01  0.179518D+01 -0.193968D+01  0.736344D+01 -0.180544D+01
               116           117           118           119           120 
      1   0.493123D+01 -0.260782D+02 -0.344214D+01  0.606894D+00 -0.199547D+01
      2  -0.988548D+00 -0.925998D+01 -0.607233D+01  0.281436D+00 -0.508392D+01
      3  -0.394268D+01  0.353381D+02  0.951447D+01 -0.888330D+00  0.707940D+01
      4  -0.376953D+01  0.174723D+01  0.287907D-01  0.437979D+01 -0.106535D+01
      5   0.360272D+01 -0.144304D+02  0.841645D+01 -0.228483D+01  0.143225D+02
      6   0.760513D+01 -0.162673D+02 -0.568614D+00  0.764590D+00  0.121973D+00
               121           122           123           124           125 
      1   0.715080D+01 -0.547420D+01  0.400717D+01 -0.863142D+01  0.151484D+01
      2  -0.283317D+01  0.238042D+00  0.322629D+01 -0.754605D+01  0.367708D+01
      3  -0.431763D+01  0.523616D+01 -0.723346D+01  0.161775D+02 -0.519192D+01
      4   0.267636D+01 -0.116470D+01  0.332078D+01  0.750262D+00  0.277690D+01
      5  -0.278073D+01  0.396725D+01 -0.337204D+01  0.188206D+02 -0.357609D+01
      6   0.142449D+01 -0.124525D+01  0.773553D+01  0.586733D+00  0.570966D+01
               126           127           128           129           130 
      1  -0.289356D+02 -0.778850D+01  0.176625D+02  0.380754D+00  0.923995D+01
      2  -0.216094D+02  0.111987D+02 -0.248167D+02  0.758757D+00 -0.132601D+02
      3   0.505451D+02 -0.341017D+01  0.715421D+01 -0.113951D+01  0.402015D+01
      4  -0.228024D+01 -0.639296D+01  0.368355D+01  0.160180D+01  0.641084D+01
      5   0.258373D+02 -0.535144D+00  0.138755D+01  0.139315D+01  0.194948D+01
      6  -0.570841D+00  0.319623D-01  0.333959D+00 -0.244439D+01  0.430760D+00
               131           132           133           134           135 
      1  -0.256285D+02 -0.538071D+00 -0.249782D+01  0.416835D+01 -0.351896D+01
      2   0.386056D+02  0.692858D+00  0.328610D+01 -0.517879D+01  0.337065D+01
      3  -0.129771D+02 -0.154787D+00 -0.788283D+00  0.101043D+01  0.148302D+00
      4  -0.576698D+00  0.113780D+01  0.226572D+00  0.342541D+00  0.782598D+00
      5   0.307563D+00  0.404375D+00  0.289276D+01  0.119202D+01 -0.757486D+00
      6   0.850936D+00  0.607940D+01 -0.580836D+00  0.681319D+01 -0.166955D+01
               136           137           138           139           140 
      1   0.826387D+01  0.384232D+00  0.157598D+01  0.140618D+01 -0.651008D+01
      2   0.243284D+01  0.739391D+01  0.265429D+01  0.470994D+01  0.159244D+02
      3  -0.106967D+02 -0.777814D+01 -0.423027D+01 -0.611612D+01 -0.941428D+01
      4   0.219115D+02  0.210224D+02  0.122341D+02  0.159408D+02  0.191145D+02
      5   0.131588D+02  0.101511D+02  0.130096D+02  0.699001D+01  0.979560D+01
      6   0.106051D+02  0.110855D+02  0.116742D+02  0.794941D+01  0.137838D+02
               141           142           143           144           145 
      1  -0.349674D+01  0.184690D+00 -0.580371D+01 -0.376126D+01 -0.307387D+01
      2   0.713740D+01  0.298918D+01  0.913106D+01  0.185304D+01  0.418229D+01
      3  -0.364067D+01 -0.317387D+01 -0.332735D+01  0.190822D+01 -0.110842D+01
      4   0.108484D+02  0.131866D+02  0.147024D+02  0.137786D+02 -0.141637D+01
      5   0.743719D+01  0.123411D+02  0.109884D+02  0.143537D+02 -0.163640D-01
      6   0.108673D+02  0.115395D+02  0.150112D+02  0.165435D+02  0.159687D-02
               146           147           148           149           150 
      1  -0.544746D+01  0.778909D+00 -0.333635D+01 -0.250861D+02  0.394872D+01
      2   0.665063D+01 -0.154780D+01  0.294442D+01  0.483370D+02 -0.116702D+02
      3  -0.120317D+01  0.768895D+00  0.391925D+00 -0.232509D+02  0.772147D+01
      4   0.587028D+01  0.491277D+00  0.660655D+01 -0.199304D+02  0.312352D+01
      5   0.174843D+01  0.243971D+01  0.158850D+01  0.534358D+01 -0.479541D+01
      6  -0.106734D+01  0.404690D-01 -0.114121D+01 -0.125730D+01  0.806789D+01
               151           152           153           154           155 
      1   0.252158D+01  0.119098D+02 -0.449154D+01 -0.979988D+01 -0.538496D+01
      2  -0.150281D+01 -0.224647D+02  0.780404D+01 -0.225258D+01  0.619597D+01
      3  -0.101877D+01  0.105549D+02 -0.331250D+01  0.120525D+02 -0.811008D+00
      4  -0.201149D+01  0.103328D+02 -0.516753D+01  0.135836D+02 -0.592323D+00
      5   0.216130D+01 -0.579003D+01  0.340350D+01  0.579140D+01  0.508532D+00
      6  -0.722896D+00  0.759541D+01 -0.671224D+01  0.510614D+01  0.374161D+01
               156           157           158           159           160 
      1  -0.114541D+02  0.921311D+00 -0.212691D+01  0.359258D+01 -0.893692D+01
      2  -0.541208D+00  0.174410D+01  0.252884D+01 -0.752799D+00 -0.705285D+00
      3   0.119953D+02 -0.266541D+01 -0.401931D+00 -0.283978D+01  0.964221D+01
      4   0.641443D+01 -0.115001D+00  0.142020D+01  0.471074D+00  0.799518D+01
      5   0.348822D+01  0.675491D+00  0.183437D+01  0.798999D+00  0.562994D+01
      6   0.609727D+01  0.206261D+01 -0.141626D+01  0.146458D+01  0.312550D+01
               161           162           163           164           165 
      1   0.200585D+00 -0.101435D+02  0.104210D+02  0.312366D+00 -0.215796D+01
      2  -0.912236D+00 -0.265267D+01 -0.104029D+02 -0.150526D+01  0.777246D+01
      3   0.711651D+00  0.127961D+02 -0.181080D-01  0.119290D+01 -0.561450D+01
      4   0.309733D+00  0.246245D+01 -0.187217D+02  0.159314D+02  0.155721D+02
      5  -0.180804D+01  0.202096D-01 -0.240341D+02  0.124995D+02  0.232205D+02
      6   0.402967D+01  0.665066D+01  0.131138D+02 -0.118202D+02 -0.141833D+02
               166           167           168           169           170 
      1   0.837589D+00 -0.349369D+01 -0.207688D+01 -0.369126D+01 -0.364748D+01
      2  -0.195017D+01  0.618848D+01  0.106509D+01  0.835482D+01 -0.635474D+00
      3   0.111258D+01 -0.269480D+01  0.101178D+01 -0.466356D+01  0.428295D+01
      4   0.954734D+01 -0.107576D+02 -0.782182D+01  0.153545D+02 -0.116444D+02
      5   0.529593D+01 -0.724863D+01 -0.590240D+01  0.220911D+02 -0.134054D+02
      6  -0.736796D+01  0.799006D+01  0.980171D+01 -0.130419D+02  0.146059D+02
               171           172           173           174           175 
      1  -0.660359D+01  0.698324D+02 -0.139783D+02 -0.200882D+02 -0.131190D+02
      2  -0.978704D+01 -0.331095D+02  0.392388D+01  0.856244D+01  0.269441D+01
      3   0.163906D+02 -0.367229D+02  0.100544D+02  0.115258D+02  0.104246D+02
      4  -0.159977D+02 -0.238883D+02  0.148912D+02  0.853162D+01  0.194041D+02
      5  -0.279644D+02 -0.206437D+02  0.650239D+01  0.165972D+02  0.556610D+01
      6   0.214920D+02  0.481009D+01 -0.137658D+01 -0.329223D+01 -0.169781D+01
               176           177           178           179           180 
      1   0.962089D+01  0.572410D+01 -0.454706D+02  0.111367D+02  0.164689D+02
      2  -0.227620D+01 -0.175533D+01  0.217504D+02 -0.408150D+01 -0.956846D+01
      3  -0.734469D+01 -0.396876D+01  0.237202D+02 -0.705518D+01 -0.690047D+01
      4  -0.119899D+02 -0.323139D+01  0.181808D+02 -0.102321D+02 -0.860806D+01
      5  -0.226202D+01 -0.483442D+01  0.251543D+02 -0.772675D+01 -0.204221D+02
      6   0.740170D+00  0.429058D+01 -0.533248D+01  0.454214D+01  0.482842D+01
               181           182           183           184           185 
      1   0.215387D+02  0.101207D+02  0.760650D+01  0.236529D+02  0.907397D+01
      2  -0.132580D+02 -0.716821D+01 -0.686845D+01 -0.151444D+02 -0.621994D+01
      3  -0.828078D+01 -0.295246D+01 -0.738043D+00 -0.850853D+01 -0.285403D+01
      4   0.956222D+01  0.104191D+02  0.802319D+01  0.146699D+02  0.227005D+02
      5   0.107780D+02  0.942131D+01  0.124616D+02  0.162494D+02  0.152099D+02
      6   0.309595D+01  0.154437D+01  0.113554D+01  0.239814D+01  0.467812D+01
               186           187           188           189           190 
      1   0.111541D+02  0.110500D+02  0.764166D+01  0.953232D+01  0.215166D+01
      2  -0.108208D+02 -0.103212D+02 -0.841867D+01 -0.123701D+02 -0.423611D+00
      3  -0.333298D+00 -0.728766D+00  0.777007D+00  0.283782D+01 -0.172805D+01
      4   0.146383D+02  0.862019D+01  0.139458D+02  0.872866D+01 -0.374304D+01
      5   0.164275D+02  0.190884D+02  0.102940D+02  0.217599D+02  0.156444D+00
      6   0.472999D+01  0.108214D+01  0.582413D+01  0.236776D+01 -0.184762D+01
               191           192           193           194           195 
      1  -0.695255D+01  0.302067D+01 -0.964413D+01 -0.830438D+01  0.785641D+01
      2   0.437648D+01 -0.121736D+01  0.261711D+01  0.139090D+02 -0.524747D+01
      3   0.257607D+01 -0.180331D+01  0.702702D+01 -0.560461D+01 -0.260894D+01
      4   0.235235D+01  0.554941D+00  0.159289D+02 -0.340402D+02  0.209446D+02
      5   0.155023D+00  0.178671D+01 -0.744351D+01  0.206543D+02 -0.184133D+02
      6  -0.155575D+01  0.105481D+01  0.496398D+01 -0.180496D+02  0.151990D+02
               196           197           198           199           200 
      1   0.409716D+01  0.854944D+01 -0.476078D+01  0.372547D+00  0.192727D+01
      2  -0.290785D+01 -0.547981D+01 -0.173566D+01 -0.127075D+01 -0.798475D-01
      3  -0.118932D+01 -0.306962D+01  0.649644D+01  0.898198D+00 -0.184742D+01
      4  -0.631390D+01  0.213613D+02 -0.172383D+02  0.403720D+01  0.553421D+01
      5   0.126657D+02 -0.173313D+02  0.230190D+02 -0.174288D+01 -0.228565D+01
      6  -0.430887D+01  0.151135D+02 -0.150540D+02 -0.228231D+01 -0.923495D+00
               201           202           203           204           205 
      1  -0.142727D+01  0.233345D+01 -0.116779D+02  0.626417D+01 -0.750312D+00
      2   0.585730D+00 -0.109955D+00  0.100950D+02 -0.206889D+01  0.353489D+01
      3   0.841535D+00 -0.222349D+01  0.158289D+01 -0.419529D+01 -0.278458D+01
      4  -0.128489D+01  0.465378D+01  0.817406D+01 -0.338675D+01 -0.615707D+00
      5   0.195268D+01 -0.276795D+01 -0.500712D+01  0.322017D+01  0.212479D+01
      6   0.566395D+00 -0.124917D+01 -0.112438D+02  0.679608D+01  0.217142D+01
               206           207           208           209           210 
      1   0.537153D+01 -0.219671D+01 -0.121801D+01 -0.982973D+00  0.459280D+00
      2  -0.225388D+01  0.728798D+00  0.280506D+01  0.382111D+00 -0.153309D+00
      3  -0.311765D+01  0.146791D+01 -0.158705D+01  0.600862D+00 -0.305972D+00
      4  -0.139154D+01  0.101299D+01 -0.640402D+00  0.573848D+01 -0.131388D+01
      5   0.234606D+01 -0.834484D+00  0.933231D+00 -0.746915D+00  0.697142D+00
      6   0.528242D+01 -0.440193D+01 -0.673027D+00  0.114348D+01 -0.142069D+00
               211           212           213           214           215 
      1  -0.554170D+01 -0.200617D+02  0.478256D+01  0.305438D+01  0.668372D+01
      2   0.309417D+01  0.250321D+02 -0.439500D+01 -0.448325D+00 -0.667076D+01
      3   0.244753D+01 -0.497048D+01 -0.387555D+00 -0.260606D+01 -0.129642D-01
      4   0.271586D+01 -0.178200D+02  0.411508D+01 -0.159766D+01  0.628091D+01
      5  -0.751916D+00  0.329906D+01 -0.230295D+01 -0.494525D+00 -0.288984D+01
      6   0.853263D+00 -0.350817D+01  0.490536D+01  0.144162D+01  0.465693D+01
               216           217           218           219           220 
      1  -0.507881D+01  0.590183D+01  0.558851D+01 -0.622706D+01  0.402327D+01
      2   0.368447D+01 -0.446179D+01 -0.421830D+01  0.200044D+01 -0.181265D+01
      3   0.139433D+01 -0.144004D+01 -0.137021D+01  0.422661D+01 -0.221062D+01
      4  -0.353766D+01  0.224186D+01 -0.304082D+01 -0.889411D+00  0.272357D+01
      5   0.219885D+01 -0.337950D+01  0.404622D+00  0.193721D+00  0.331480D+00
      6  -0.338814D+01 -0.196017D+01  0.108524D+01 -0.232258D+01 -0.876242D+00
               221           222           223           224           225 
      1  -0.698546D+01  0.395254D+01 -0.933437D+01  0.384288D+01 -0.165369D+02
      2   0.527632D+01 -0.318534D+01  0.614065D+01 -0.120759D+01 -0.811582D+01
      3   0.170914D+01 -0.767197D+00  0.319373D+01 -0.263529D+01  0.246527D+02
      4   0.632225D+01 -0.506593D+01 -0.105245D+02 -0.149707D+02  0.130244D+02
      5  -0.539114D+01  0.595353D+01  0.121538D+02  0.149450D+02 -0.486611D+02
      6  -0.411054D+01  0.847798D+01  0.442719D+01  0.123356D+02 -0.237218D+02
               226           227           228           229           230 
      1   0.893278D+02  0.208612D+02  0.571535D+01  0.742819D+01  0.736333D+01
      2  -0.404870D+02 -0.601350D+01 -0.218818D+01  0.451077D+00  0.214482D+00
      3  -0.488408D+02 -0.148477D+02 -0.352717D+01 -0.787927D+01 -0.757781D+01
      4   0.431794D+02  0.221421D+02  0.319737D+01  0.150854D+02  0.978093D+01
      5   0.124837D+01  0.763689D+00  0.120470D+02  0.890985D+00  0.190445D+01
      6   0.273692D+01  0.340643D+00  0.416003D+01 -0.233579D+00  0.103915D+01
               231           232           233           234           235 
      1   0.509519D+00  0.138903D+02  0.330523D+01  0.778204D+01 -0.554119D+01
      2   0.910995D+00 -0.650875D+01  0.174648D+00 -0.488425D+01  0.601725D+01
      3  -0.142051D+01 -0.738155D+01 -0.347988D+01 -0.289778D+01 -0.476057D+00
      4   0.242885D+01  0.795313D+01  0.573136D+01  0.643038D+01 -0.690994D+00
      5   0.199147D+01  0.123969D+02  0.498870D+01  0.195898D+01  0.455450D+01
      6   0.201723D+01  0.427601D+01  0.309445D+01  0.576123D+00  0.301628D+01
               236           237           238           239           240 
      1   0.160832D+02  0.793623D+01  0.165224D+02 -0.231845D+02 -0.785985D+01
      2  -0.171027D+02 -0.610473D+01 -0.107603D+02  0.308863D+02  0.937899D+01
      3   0.101948D+01 -0.183150D+01 -0.576209D+01 -0.770176D+01 -0.151914D+01
      4  -0.103968D+02 -0.222611D-01  0.336243D+01  0.233934D+02  0.585210D+01
      5  -0.186361D+01 -0.523822D+01 -0.346191D+01  0.733028D+01  0.912980D+01
      6  -0.372106D+01 -0.468437D+01 -0.188533D+01  0.745626D+01  0.749197D+01
               241           242           243 
      1   0.931185D+01 -0.947579D+01 -0.111425D+02
      2  -0.472086D+01  0.127620D+02  0.746814D+01
      3  -0.459098D+01 -0.328617D+01  0.367435D+01
      4   0.336481D+01  0.126598D+02  0.768729D+01
      5  -0.247524D+00  0.964876D+01  0.458261D+01
      6  -0.132209D+01  0.103429D+02  0.587478D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:41:24 2021, MaxMem=  5368709120 cpu:           20515.8 elap:            2570.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13224 -10.27200 -10.21209 -10.20593 -10.20025
 Alpha  occ. eigenvalues --  -10.19202 -10.18768 -10.18667 -10.18313 -10.18285
 Alpha  occ. eigenvalues --  -10.18011  -1.04297  -0.87743  -0.80760  -0.75779
 Alpha  occ. eigenvalues --   -0.73903  -0.70011  -0.68996  -0.62806  -0.60082
 Alpha  occ. eigenvalues --   -0.54123  -0.52418  -0.49338  -0.48234  -0.47615
 Alpha  occ. eigenvalues --   -0.44952  -0.44577  -0.44242  -0.42563  -0.41272
 Alpha  occ. eigenvalues --   -0.40240  -0.39956  -0.38577  -0.37709  -0.36740
 Alpha  occ. eigenvalues --   -0.36444  -0.34178  -0.33011  -0.32252  -0.30530
 Alpha  occ. eigenvalues --   -0.27001  -0.25190
 Alpha virt. eigenvalues --   -0.06005  -0.01817  -0.00412   0.00019   0.00249
 Alpha virt. eigenvalues --    0.01830   0.02041   0.02152   0.02260   0.02655
 Alpha virt. eigenvalues --    0.03935   0.04438   0.04578   0.04826   0.05332
 Alpha virt. eigenvalues --    0.05621   0.06375   0.06787   0.07094   0.07317
 Alpha virt. eigenvalues --    0.07774   0.08254   0.08631   0.09167   0.09538
 Alpha virt. eigenvalues --    0.09820   0.10108   0.10403   0.10873   0.11149
 Alpha virt. eigenvalues --    0.11231   0.11366   0.11816   0.11875   0.12335
 Alpha virt. eigenvalues --    0.12637   0.12762   0.13028   0.13963   0.13974
 Alpha virt. eigenvalues --    0.14345   0.14493   0.14702   0.15100   0.15262
 Alpha virt. eigenvalues --    0.15828   0.16120   0.16466   0.16755   0.17134
 Alpha virt. eigenvalues --    0.17586   0.18298   0.19076   0.19515   0.20115
 Alpha virt. eigenvalues --    0.20192   0.20980   0.21767   0.22211   0.22583
 Alpha virt. eigenvalues --    0.23308   0.23441   0.23839   0.24355   0.24972
 Alpha virt. eigenvalues --    0.25326   0.26099   0.26616   0.27084   0.27490
 Alpha virt. eigenvalues --    0.27785   0.28462   0.28942   0.29458   0.29829
 Alpha virt. eigenvalues --    0.30377   0.30636   0.31060   0.31369   0.31860
 Alpha virt. eigenvalues --    0.32511   0.32709   0.33160   0.33726   0.34483
 Alpha virt. eigenvalues --    0.34574   0.35198   0.35882   0.36120   0.36630
 Alpha virt. eigenvalues --    0.36848   0.37274   0.37641   0.37849   0.38707
 Alpha virt. eigenvalues --    0.39031   0.39193   0.39902   0.40506   0.40761
 Alpha virt. eigenvalues --    0.41439   0.41836   0.42368   0.43290   0.43881
 Alpha virt. eigenvalues --    0.44482   0.45068   0.45355   0.45973   0.46535
 Alpha virt. eigenvalues --    0.46681   0.47572   0.48136   0.49028   0.49349
 Alpha virt. eigenvalues --    0.50099   0.50303   0.51159   0.51512   0.52119
 Alpha virt. eigenvalues --    0.52776   0.53026   0.53351   0.54290   0.54702
 Alpha virt. eigenvalues --    0.54863   0.55281   0.56076   0.56508   0.56673
 Alpha virt. eigenvalues --    0.57478   0.57980   0.58439   0.58833   0.59115
 Alpha virt. eigenvalues --    0.60357   0.60640   0.61595   0.61966   0.62353
 Alpha virt. eigenvalues --    0.62969   0.63503   0.63817   0.64726   0.65433
 Alpha virt. eigenvalues --    0.65796   0.66102   0.66664   0.67122   0.67855
 Alpha virt. eigenvalues --    0.68182   0.68547   0.68835   0.69762   0.70026
 Alpha virt. eigenvalues --    0.70612   0.71203   0.72027   0.72425   0.73216
 Alpha virt. eigenvalues --    0.73591   0.74240   0.74407   0.75631   0.76641
 Alpha virt. eigenvalues --    0.77223   0.77492   0.78222   0.78745   0.79709
 Alpha virt. eigenvalues --    0.80402   0.82162   0.82527   0.83261   0.83954
 Alpha virt. eigenvalues --    0.84793   0.85982   0.86577   0.86998   0.87500
 Alpha virt. eigenvalues --    0.88212   0.89480   0.90296   0.90556   0.91810
 Alpha virt. eigenvalues --    0.92294   0.94231   0.95920   0.97141   0.97978
 Alpha virt. eigenvalues --    0.99137   0.99857   1.00405   1.01676   1.02947
 Alpha virt. eigenvalues --    1.04037   1.04696   1.05766   1.06848   1.07616
 Alpha virt. eigenvalues --    1.08777   1.09355   1.10287   1.11708   1.13882
 Alpha virt. eigenvalues --    1.15782   1.16606   1.17563   1.18757   1.20454
 Alpha virt. eigenvalues --    1.20788   1.21999   1.23866   1.24235   1.26429
 Alpha virt. eigenvalues --    1.26842   1.28440   1.30493   1.31202   1.33917
 Alpha virt. eigenvalues --    1.35965   1.36999   1.38076   1.38618   1.42516
 Alpha virt. eigenvalues --    1.42772   1.43550   1.46207   1.47300   1.47913
 Alpha virt. eigenvalues --    1.48306   1.48984   1.49917   1.53154   1.53435
 Alpha virt. eigenvalues --    1.54462   1.55305   1.57432   1.58468   1.58846
 Alpha virt. eigenvalues --    1.59604   1.60754   1.61603   1.63120   1.64142
 Alpha virt. eigenvalues --    1.64371   1.66434   1.67070   1.67533   1.68882
 Alpha virt. eigenvalues --    1.69182   1.70328   1.71384   1.71948   1.72380
 Alpha virt. eigenvalues --    1.73463   1.74906   1.76141   1.77550   1.78735
 Alpha virt. eigenvalues --    1.78912   1.80383   1.81047   1.83641   1.84274
 Alpha virt. eigenvalues --    1.84632   1.86000   1.87483   1.88449   1.89376
 Alpha virt. eigenvalues --    1.92632   1.92964   1.93912   1.94790   1.96668
 Alpha virt. eigenvalues --    1.98809   1.99944   2.00620   2.01128   2.01762
 Alpha virt. eigenvalues --    2.02739   2.03568   2.05051   2.05614   2.06892
 Alpha virt. eigenvalues --    2.08096   2.09360   2.10468   2.10907   2.12109
 Alpha virt. eigenvalues --    2.12723   2.15037   2.15490   2.16912   2.18806
 Alpha virt. eigenvalues --    2.19579   2.21443   2.23005   2.23602   2.24130
 Alpha virt. eigenvalues --    2.25053   2.27334   2.27702   2.28920   2.30390
 Alpha virt. eigenvalues --    2.30920   2.34598   2.36171   2.37171   2.37788
 Alpha virt. eigenvalues --    2.39447   2.39930   2.41907   2.43003   2.45050
 Alpha virt. eigenvalues --    2.45702   2.47743   2.49574   2.51024   2.52197
 Alpha virt. eigenvalues --    2.55707   2.56768   2.58494   2.59120   2.60725
 Alpha virt. eigenvalues --    2.61576   2.62533   2.63938   2.64813   2.65957
 Alpha virt. eigenvalues --    2.69669   2.71016   2.72825   2.75369   2.76989
 Alpha virt. eigenvalues --    2.78378   2.84165   2.86326   2.88298   2.93933
 Alpha virt. eigenvalues --    2.98957   3.06153   3.07023   3.17202   3.20623
 Alpha virt. eigenvalues --    3.30726   3.39096   3.42760   3.44013   3.47733
 Alpha virt. eigenvalues --    3.64196   3.69988   3.80305   3.94800   5.11810
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.460828  -1.358408   1.118795  -0.458258   0.150370  -0.051904
     2  C   -1.358408  10.717944  -3.913633   1.747869  -0.507113   0.012447
     3  C    1.118795  -3.913633  23.449940  -8.478687  -0.902482  -0.371815
     4  C   -0.458258   1.747869  -8.478687  17.979290  -4.199866  -1.177777
     5  C    0.150370  -0.507113  -0.902482  -4.199866  16.303319  -2.698055
     6  C   -0.051904   0.012447  -0.371815  -1.177777  -2.698055   9.510990
     7  O   -0.000093   0.003124  -0.006308  -0.045495  -0.136089   0.267677
     8  C   -0.551602  -0.891529  -0.418075  -0.173768   0.096489   0.015303
     9  C    0.036027  -0.516499   0.871016   0.182026  -0.204747  -0.043802
    10  C   -0.682782   1.154757  -3.913700   0.171324  -0.650305  -0.023301
    11  C   -0.026256   0.051287  -0.342259  -0.063467   0.010131   0.210736
    12  H    0.128349  -0.417364   0.444347  -0.208622   0.049358   0.008264
    13  H   -0.215767   0.502013  -0.306338   0.207777   0.074487  -0.003707
    14  H   -0.226420   0.349524  -3.365680   1.377092   0.167261  -0.018757
    15  H   -0.020323  -0.271442   0.194457  -0.286070   0.329111  -0.010341
    16  H    0.050031   0.280766   0.075792   0.508349  -0.028655   0.011386
    17  H    0.206583   0.039163  -0.023982   0.072585   0.048862  -0.014215
    18  H    0.077154   0.411791  -0.392937   0.076862   0.052696   0.016939
    19  H   -0.089317  -0.230537   0.247909  -0.120433  -0.012818   0.001495
    20  H    0.143024   0.073892  -0.183333   0.058496   0.005036  -0.001018
    21  H   -0.152654   0.576017   0.206050  -0.155023  -0.004545  -0.001905
    22  H    0.108777  -0.319748  -0.014327   0.088566   0.024106   0.007555
    23  H    0.061633  -0.264986   0.936900  -2.314090  -1.005643   0.173541
    24  H   -0.015454   0.023044  -0.290061   0.554029  -2.637442   0.167233
    25  H   -0.001508  -0.002861  -0.018262   0.199039  -0.341633   0.059960
    26  H    0.001838   0.000474   0.009333  -0.119305   0.468923   0.010457
    27  H   -0.021445   0.010475  -0.020101   0.074067  -0.244231   0.042057
               7          8          9         10         11         12
     1  C   -0.000093  -0.551602   0.036027  -0.682782  -0.026256   0.128349
     2  C    0.003124  -0.891529  -0.516499   1.154757   0.051287  -0.417364
     3  C   -0.006308  -0.418075   0.871016  -3.913700  -0.342259   0.444347
     4  C   -0.045495  -0.173768   0.182026   0.171324  -0.063467  -0.208622
     5  C   -0.136089   0.096489  -0.204747  -0.650305   0.010131   0.049358
     6  C    0.267677   0.015303  -0.043802  -0.023301   0.210736   0.008264
     7  O    8.527073   0.000525  -0.007129   0.012994   0.025598  -0.000456
     8  C    0.000525   6.472117  -0.722280   0.731117   0.013712   0.030047
     9  C   -0.007129  -0.722280   7.613798  -1.450689  -0.014455  -0.472030
    10  C    0.012994   0.731117  -1.450689  10.693115   0.029419  -0.082997
    11  C    0.025598   0.013712  -0.014455   0.029419   4.794104  -0.001723
    12  H   -0.000456   0.030047  -0.472030  -0.082997  -0.001723   3.155667
    13  H    0.001277   0.015763  -0.927168   0.095176   0.005130  -0.877625
    14  H    0.000147  -0.015034   0.059181   0.489502   0.019958   0.047384
    15  H   -0.004773  -0.029585   0.510336  -0.997578   0.010667   0.190188
    16  H    0.001207  -0.016509  -0.188815  -1.044999   0.000362  -0.319174
    17  H    0.000008  -0.188233   0.064996  -0.077151   0.002536   0.006404
    18  H    0.000768  -0.126498  -0.073646   0.132287  -0.017584   0.031758
    19  H   -0.000070   0.401007  -0.151683   0.020273   0.001600   0.021996
    20  H    0.000017  -0.014295   0.010202   0.045869   0.000991  -0.057838
    21  H    0.000072  -0.084601   0.018220  -0.148390   0.000142  -0.059126
    22  H   -0.000027   0.283579  -0.079790   0.003545   0.000765   0.028493
    23  H   -0.008739   0.048583  -0.062733   0.032416  -0.080573  -0.019637
    24  H   -0.068808  -0.004412   0.038512   0.042645  -0.097804   0.022346
    25  H    0.034299  -0.000554  -0.003057   0.002480   0.379371  -0.000224
    26  H   -0.045759  -0.000100  -0.000358   0.002686  -0.221460  -0.000023
    27  H    0.030700   0.003827   0.009030  -0.013088   0.428528   0.000825
              13         14         15         16         17         18
     1  C   -0.215767  -0.226420  -0.020323   0.050031   0.206583   0.077154
     2  C    0.502013   0.349524  -0.271442   0.280766   0.039163   0.411791
     3  C   -0.306338  -3.365680   0.194457   0.075792  -0.023982  -0.392937
     4  C    0.207777   1.377092  -0.286070   0.508349   0.072585   0.076862
     5  C    0.074487   0.167261   0.329111  -0.028655   0.048862   0.052696
     6  C   -0.003707  -0.018757  -0.010341   0.011386  -0.014215   0.016939
     7  O    0.001277   0.000147  -0.004773   0.001207   0.000008   0.000768
     8  C    0.015763  -0.015034  -0.029585  -0.016509  -0.188233  -0.126498
     9  C   -0.927168   0.059181   0.510336  -0.188815   0.064996  -0.073646
    10  C    0.095176   0.489502  -0.997578  -1.044999  -0.077151   0.132287
    11  C    0.005130   0.019958   0.010667   0.000362   0.002536  -0.017584
    12  H   -0.877625   0.047384   0.190188  -0.319174   0.006404   0.031758
    13  H    3.241363  -0.039591  -0.328001   0.251235   0.007426  -0.044010
    14  H   -0.039591   3.341296   0.239248  -0.289699   0.016739   0.003181
    15  H   -0.328001   0.239248   3.113434  -0.826955  -0.004967   0.009445
    16  H    0.251235  -0.289699  -0.826955   3.098314  -0.002304   0.002553
    17  H    0.007426   0.016739  -0.004967  -0.002304   2.107748  -0.430950
    18  H   -0.044010   0.003181   0.009445   0.002553  -0.430950   2.101118
    19  H   -0.051894  -0.009874   0.012009  -0.005611  -0.523102  -0.517646
    20  H    0.035048   0.029160  -0.001030   0.009232   0.037767   0.019854
    21  H    0.019325  -0.074471  -0.012962  -0.005408   0.010478  -0.049997
    22  H   -0.018157  -0.045781   0.000769   0.005123  -0.106241   0.036696
    23  H    0.022868  -0.272348  -0.039282   0.030890  -0.072097  -0.041936
    24  H   -0.020020  -0.068444  -0.141311   0.052536  -0.010934   0.005249
    25  H    0.000976   0.002635   0.002845  -0.000355   0.003055   0.000589
    26  H    0.000075   0.003103  -0.001459   0.000420   0.002713  -0.002214
    27  H   -0.001611   0.003294   0.001236  -0.001028  -0.005292  -0.002531
              19         20         21         22         23         24
     1  C   -0.089317   0.143024  -0.152654   0.108777   0.061633  -0.015454
     2  C   -0.230537   0.073892   0.576017  -0.319748  -0.264986   0.023044
     3  C    0.247909  -0.183333   0.206050  -0.014327   0.936900  -0.290061
     4  C   -0.120433   0.058496  -0.155023   0.088566  -2.314090   0.554029
     5  C   -0.012818   0.005036  -0.004545   0.024106  -1.005643  -2.637442
     6  C    0.001495  -0.001018  -0.001905   0.007555   0.173541   0.167233
     7  O   -0.000070   0.000017   0.000072  -0.000027  -0.008739  -0.068808
     8  C    0.401007  -0.014295  -0.084601   0.283579   0.048583  -0.004412
     9  C   -0.151683   0.010202   0.018220  -0.079790  -0.062733   0.038512
    10  C    0.020273   0.045869  -0.148390   0.003545   0.032416   0.042645
    11  C    0.001600   0.000991   0.000142   0.000765  -0.080573  -0.097804
    12  H    0.021996  -0.057838  -0.059126   0.028493  -0.019637   0.022346
    13  H   -0.051894   0.035048   0.019325  -0.018157   0.022868  -0.020020
    14  H   -0.009874   0.029160  -0.074471  -0.045781  -0.272348  -0.068444
    15  H    0.012009  -0.001030  -0.012962   0.000769  -0.039282  -0.141311
    16  H   -0.005611   0.009232  -0.005408   0.005123   0.030890   0.052536
    17  H   -0.523102   0.037767   0.010478  -0.106241  -0.072097  -0.010934
    18  H   -0.517646   0.019854  -0.049997   0.036696  -0.041936   0.005249
    19  H    2.271984  -0.081481   0.031523   0.056970   0.029625   0.000916
    20  H   -0.081481   2.148992  -0.502979  -0.485029  -0.010637  -0.002290
    21  H    0.031523  -0.502979   2.154480  -0.498316   0.008271   0.000044
    22  H    0.056970  -0.485029  -0.498316   2.147096   0.032767   0.006546
    23  H    0.029625  -0.010637   0.008271   0.032767   4.956667   0.338703
    24  H    0.000916  -0.002290   0.000044   0.006546   0.338703   4.319464
    25  H   -0.000429   0.000245  -0.000389  -0.000308  -0.093334  -0.034244
    26  H    0.000171   0.000061  -0.000058  -0.000109  -0.000905   0.012398
    27  H   -0.001974  -0.000198  -0.000122   0.001069  -0.057817  -0.018336
              25         26         27
     1  C   -0.001508   0.001838  -0.021445
     2  C   -0.002861   0.000474   0.010475
     3  C   -0.018262   0.009333  -0.020101
     4  C    0.199039  -0.119305   0.074067
     5  C   -0.341633   0.468923  -0.244231
     6  C    0.059960   0.010457   0.042057
     7  O    0.034299  -0.045759   0.030700
     8  C   -0.000554  -0.000100   0.003827
     9  C   -0.003057  -0.000358   0.009030
    10  C    0.002480   0.002686  -0.013088
    11  C    0.379371  -0.221460   0.428528
    12  H   -0.000224  -0.000023   0.000825
    13  H    0.000976   0.000075  -0.001611
    14  H    0.002635   0.003103   0.003294
    15  H    0.002845  -0.001459   0.001236
    16  H   -0.000355   0.000420  -0.001028
    17  H    0.003055   0.002713  -0.005292
    18  H    0.000589  -0.002214  -0.002531
    19  H   -0.000429   0.000171  -0.001974
    20  H    0.000245   0.000061  -0.000198
    21  H   -0.000389  -0.000058  -0.000122
    22  H   -0.000308  -0.000109   0.001069
    23  H   -0.093334  -0.000905  -0.057817
    24  H   -0.034244   0.012398  -0.018336
    25  H    1.405940  -0.359765  -0.146885
    26  H   -0.359765   2.095833  -0.376850
    27  H   -0.146885  -0.376850   1.397627
 Mulliken charges:
               1
     1  C    1.328783
     2  C   -1.260467
     3  C    1.407438
     4  C    0.503490
     5  C    1.793474
     6  C   -0.099441
     7  O   -0.581740
     8  C    1.125008
     9  C    1.505535
    10  C    1.425375
    11  C    0.880542
    12  H   -0.648586
    13  H   -0.646048
    14  H   -0.722608
    15  H   -0.637667
    16  H   -0.648686
    17  H   -0.167595
    18  H   -0.278991
    19  H   -0.300607
    20  H   -0.277757
    21  H   -0.273675
    22  H   -0.264589
    23  H   -1.328109
    24  H   -1.174106
    25  H   -0.087629
    26  H   -0.480120
    27  H   -0.091224
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.581590
     2  C   -1.260467
     3  C    0.684830
     4  C   -0.824619
     5  C    0.619369
     6  C   -0.099441
     7  O   -0.581740
     8  C    0.308987
     9  C    0.210901
    10  C    0.139022
    11  C    0.221569
 Electronic spatial extent (au):  <R**2>=           2376.3950
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5155    Y=              1.9713    Z=             -1.3670  Tot=              4.2560
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.0478   YY=            -69.5932   ZZ=            -69.9102
   XY=              7.7971   XZ=             -4.2502   YZ=              0.4086
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.1974   YY=              4.2572   ZZ=              3.9402
   XY=              7.7971   XZ=             -4.2502   YZ=              0.4086
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -51.7278  YYY=             -1.3762  ZZZ=              0.4107  XYY=              0.5722
  XXY=             26.9812  XXZ=            -16.6836  XZZ=              0.7406  YZZ=              1.4100
  YYZ=             -1.4898  XYZ=              2.2103
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2633.6019 YYYY=           -574.6140 ZZZZ=           -295.7387 XXXY=            112.0594
 XXXZ=            -71.9323 YYYX=             -2.2313 YYYZ=             -3.6191 ZZZX=              5.6255
 ZZZY=             -3.2990 XXYY=           -508.8054 XXZZ=           -453.8107 YYZZ=           -145.8404
 XXYZ=             21.2365 YYXZ=              1.8268 ZZXY=              1.8078
 N-N= 6.147292985747D+02 E-N=-2.310906202717D+03  KE= 4.631433608141D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:41:25 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.8077   -3.8088       -2.7143   -2.7149
 2      3.8077    3.8088        2.1889    2.1876      -25.4234  -25.4249
 3      2.7143    2.7149       33.9707   33.9718       -2.1860   -2.1876
 4     -2.1889   -2.1876       -0.0000    0.0000        2.7152    2.7149
 5     -8.5473   -8.5469       -2.7152   -2.7149       -3.8124   -3.8088
 6      2.1860    2.1876        3.8124    3.8088        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       11.4264   11.4264       -8.1447   -8.1447
 2     -6.5627   -6.5627       -0.0000    0.0000       -8.1447   -8.1447
 3     -6.5627   -6.5627       11.4264   11.4264        0.0000    0.0000
 4     11.4264   11.4264        6.5627    6.5627      -76.2746  -76.2746
 5      8.1447    8.1447      101.9154  101.9154       -6.5627   -6.5627
 6    -25.6408  -25.6408       -8.1447   -8.1447      -11.4264  -11.4264
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0650    0.0000       15.2086   15.2353       10.8885   10.8596
 2    -15.2968  -15.2353       -8.7809   -8.7503      101.6622  101.6994
 3    -11.0203  -10.8596     -135.8903 -135.8872        8.7116    8.7503
 4      8.7557    8.7503       -0.0077    0.0000      -10.8287  -10.8596
 5     34.1680   34.1877       10.7586   10.8596       15.2343   15.2353
 6     -8.7540   -8.7503      -15.3071  -15.2353        0.0889    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0576    0.0000      -13.7373  -13.7128      -46.8442  -46.7700
 2     13.4946   13.7128      -12.0427  -11.9438       44.2419   44.3261
 3     46.7349   46.7700       21.3449   21.2882       11.9887   11.9438
 4     11.9529   11.9438       -0.0474    0.0000       46.8088   46.7700
 5    -65.7543  -65.6143      -46.9308  -46.7700      -13.8516  -13.7128
 6    -11.9514  -11.9438       13.8262   13.7128       -0.0443    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     28.5819   28.3971       13.5071   13.3480       32.1614   32.1945
 2     45.9711   45.8852       10.3059   10.2517       32.2264   32.1945
 3     45.9775   45.8852       13.4454   13.3480       57.0558   57.0372
 4      3.0889    3.0964      -17.5877  -17.4881       44.5022   44.3565
 5     24.7725   24.8427       48.4106   48.3689       17.4421   17.4881
 6    -92.8209  -92.7254      -25.2427  -24.8427       -2.8964   -3.0964
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.8311                 0.5269                 0.8429
  Dep-P Fr= 1--      0.7433                 0.5374                 0.6408
  Dep-U Fr= 1--      0.8527                 0.6991                 0.7811
 Alpha2 Fr= 1--      0.0002                 0.0022                 0.0017
 Beta2  Fr= 1--      0.2602                 0.0614                 0.1097
 AlphaG Fr= 1--     -0.0024                -0.0053                -0.0121
 Gamma2 Fr= 1--      1.0294                -0.1587                 0.2416
 Delta2 Fr= 1--      0.5023                 0.0049                 0.1998
 Raman1 Fr= 1--       7.324                  2.108                  3.372
 ROA1   Fr= 1--     114.901                -15.082                 29.589
 CID1   Fr= 1--      15.688                 -7.156                  8.776
 Raman2 Fr= 1--       3.123                  0.737                  1.317
 ROA2   Fr= 1--      20.688                 -3.848                  4.201
 CID2   Fr= 1--       6.625                 -5.223                  3.190
 Raman3 Fr= 1--       6.246                  1.474                  2.634
 ROA3   Fr= 1--     114.901                -15.082                 29.589
 CID3   Fr= 1--      18.397                -10.235                 11.235
 RC180  Fr= 1--       0.705                  0.398                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.0951                 0.4849                 0.5062
  Dep-P Fr= 1--      0.7153                 0.7499                 0.6573
  Dep-U Fr= 1--      0.8340                 0.8571                 0.7932
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0132                 0.0693                 0.0669
 AlphaG Fr= 1--     -0.0005                 0.0006                -0.0050
 Gamma2 Fr= 1--      0.0003                -0.7107                 0.8092
 Delta2 Fr= 1--      0.0230                -0.0266                -0.0087
 Raman1 Fr= 1--       0.380                  1.940                  2.025
 ROA1   Fr= 1--       0.768                -69.076                 77.407
 CID1   Fr= 1--       2.019                -35.613                 38.229
 Raman2 Fr= 1--       0.159                  0.831                  0.803
 ROA2   Fr= 1--      -0.176                -16.843                 19.491
 CID2   Fr= 1--      -1.112                -20.263                 24.271
 Raman3 Fr= 1--       0.317                  1.662                  1.606
 ROA3   Fr= 1--       0.768                -69.076                 77.407
 CID3   Fr= 1--       2.421                -41.551                 48.194
 RC180  Fr= 1--       0.668                  0.714                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.5976                 2.5554                 1.5248
  Dep-P Fr= 1--      0.7413                 0.1391                 0.1924
  Dep-U Fr= 1--      0.8514                 0.2443                 0.3227
 Alpha2 Fr= 1--      0.0001                 0.0406                 0.0211
 Beta2  Fr= 1--      0.0848                 0.1040                 0.0820
 AlphaG Fr= 1--     -0.0018                 0.0299                 0.0645
 Gamma2 Fr= 1--     -0.2453                -0.0359                 0.5277
 Delta2 Fr= 1--      0.0668                 0.1792                -0.0563
 Raman1 Fr= 1--       2.390                 10.222                  6.099
 ROA1   Fr= 1--     -21.409                  2.289                 48.853
 CID1   Fr= 1--      -8.956                  0.224                  8.010
 Raman2 Fr= 1--       1.018                  1.248                  0.984
 ROA2   Fr= 1--      -6.422                 -2.294                 13.114
 CID2   Fr= 1--      -6.311                 -1.838                 13.326
 Raman3 Fr= 1--       2.035                  2.497                  1.968
 ROA3   Fr= 1--     -21.409                  2.289                 48.853
 CID3   Fr= 1--     -10.519                  0.917                 24.820
 RC180  Fr= 1--       0.703                 -0.511                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.7015                 1.8815                 1.0747
  Dep-P Fr= 1--      0.2188                 0.3248                 0.3574
  Dep-U Fr= 1--      0.3590                 0.4903                 0.5266
 Alpha2 Fr= 1--      0.0220                 0.0179                 0.0092
 Beta2  Fr= 1--      0.1018                 0.1538                 0.0943
 AlphaG Fr= 1--      0.0036                 0.0700                -0.0579
 Gamma2 Fr= 1--      1.3580                -0.4045                -0.2178
 Delta2 Fr= 1--      0.1030                 0.1221                -0.0392
 Raman1 Fr= 1--       6.806                  7.526                  4.299
 ROA1   Fr= 1--     133.664                -34.923                -22.159
 CID1   Fr= 1--      19.639                 -4.640                 -5.155
 Raman2 Fr= 1--       1.222                  1.845                  1.132
 ROA2   Fr= 1--      31.768                -10.685                 -4.912
 CID2   Fr= 1--      26.004                 -5.791                 -4.340
 Raman3 Fr= 1--       2.443                  3.690                  2.264
 ROA3   Fr= 1--     133.664                -34.923                -22.159
 CID3   Fr= 1--      54.707                 -9.464                 -9.788
 RC180  Fr= 1--      -0.282                 -0.019                  0.053
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.7101                 2.4825                 0.1931
  Dep-P Fr= 1--      0.4546                 0.4200                 0.4967
  Dep-U Fr= 1--      0.6251                 0.5916                 0.6637
 Alpha2 Fr= 1--      0.0043                 0.0171                 0.0010
 Beta2  Fr= 1--      0.0740                 0.2448                 0.0214
 AlphaG Fr= 1--      0.0061                 0.0676                -0.0138
 Gamma2 Fr= 1--     -0.1909                -0.2516                 0.2714
 Delta2 Fr= 1--     -0.1645                -0.3069                -0.0425
 Raman1 Fr= 1--       2.841                  9.930                  0.772
 ROA1   Fr= 1--     -23.587                -33.974                 24.691
 CID1   Fr= 1--      -8.304                 -3.421                 31.966
 Raman2 Fr= 1--       0.888                  2.937                  0.256
 ROA2   Fr= 1--      -3.265                 -3.583                  6.853
 CID2   Fr= 1--      -3.678                 -1.220                 26.734
 Raman3 Fr= 1--       1.776                  5.875                  0.513
 ROA3   Fr= 1--     -23.587                -33.974                 24.691
 CID3   Fr= 1--     -13.285                 -5.783                 48.162
 RC180  Fr= 1--       0.250                  0.183                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      2.3768                10.7438                 1.0832
  Dep-P Fr= 1--      0.3780                 0.0844                 0.0673
  Dep-U Fr= 1--      0.5487                 0.1557                 0.1261
 Alpha2 Fr= 1--      0.0190                 0.1954                 0.0205
 Beta2  Fr= 1--      0.2173                 0.2789                 0.0228
 AlphaG Fr= 1--      0.0066                 0.2313                -0.1741
 Gamma2 Fr= 1--      0.4645                 0.3173                -0.6531
 Delta2 Fr= 1--      0.1303                 0.0508                 0.1792
 Raman1 Fr= 1--       9.507                 42.975                  4.333
 ROA1   Fr= 1--      48.763                 32.088                -56.960
 CID1   Fr= 1--       5.129                  0.747                -13.146
 Raman2 Fr= 1--       2.608                  3.347                  0.273
 ROA2   Fr= 1--      10.105                  7.209                -17.108
 CID2   Fr= 1--       3.874                  2.154                -62.645
 Raman3 Fr= 1--       5.216                  6.693                  0.546
 ROA3   Fr= 1--      48.763                 32.088                -56.960
 CID3   Fr= 1--       9.348                  4.794               -104.287
 RC180  Fr= 1--       0.097                 -0.689                 -0.748
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--     12.8358                 4.2305                11.3356
  Dep-P Fr= 1--      0.1285                 0.0302                 0.0410
  Dep-U Fr= 1--      0.2277                 0.0587                 0.0788
 Alpha2 Fr= 1--      0.2095                 0.0876                 0.2287
 Beta2  Fr= 1--      0.4871                 0.0414                 0.1488
 AlphaG Fr= 1--      0.0559                -0.0313                -0.3443
 Gamma2 Fr= 1--      1.0268                -0.5290                 0.3548
 Delta2 Fr= 1--      0.9259                -0.0353                -0.9154
 Raman1 Fr= 1--      51.343                 16.922                 45.342
 ROA1   Fr= 1--     128.200                -51.916                  4.764
 CID1   Fr= 1--       2.497                 -3.068                  0.105
 Raman2 Fr= 1--       5.845                  0.497                  1.786
 ROA2   Fr= 1--      17.236                -12.414                 15.837
 CID2   Fr= 1--       2.949                -25.001                  8.867
 Raman3 Fr= 1--      11.689                  0.993                  3.572
 ROA3   Fr= 1--     128.200                -51.916                  4.764
 CID3   Fr= 1--      10.967                -52.278                  1.334
 RC180  Fr= 1--      -0.545                 -0.883                 -0.842
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--     10.8652                34.7551                 5.4390
  Dep-P Fr= 1--      0.6308                 0.6105                 0.5479
  Dep-U Fr= 1--      0.7736                 0.7582                 0.7079
 Alpha2 Fr= 1--      0.0235                 0.0892                 0.0210
 Beta2  Fr= 1--      1.4009                 4.3916                 0.6417
 AlphaG Fr= 1--     -0.0303                 0.2553                 0.2750
 Gamma2 Fr= 1--     -2.6381                 6.7641                -2.9884
 Delta2 Fr= 1--      0.1712                 0.5658                -1.2291
 Raman1 Fr= 1--      43.461                139.020                 21.756
 ROA1   Fr= 1--    -247.775                667.463               -326.219
 CID1   Fr= 1--      -5.701                  4.801                -14.994
 Raman2 Fr= 1--      16.811                 52.700                  7.700
 ROA2   Fr= 1--     -64.683                157.813                -61.889
 CID2   Fr= 1--      -3.848                  2.995                 -8.037
 Raman3 Fr= 1--      33.621                105.399                 15.401
 ROA3   Fr= 1--    -247.775                667.463               -326.219
 CID3   Fr= 1--      -7.370                  6.333                -21.182
 RC180  Fr= 1--       0.547                  0.516                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.6154                18.4098                 4.3529
  Dep-P Fr= 1--      0.6109                 0.3165                 0.5187
  Dep-U Fr= 1--      0.7585                 0.4808                 0.6831
 Alpha2 Fr= 1--      0.0144                 0.1796                 0.0196
 Beta2  Fr= 1--      0.7098                 1.4753                 0.4956
 AlphaG Fr= 1--      0.3200                 0.5722                 0.0107
 Gamma2 Fr= 1--      1.7069                -0.6215                 1.0870
 Delta2 Fr= 1--     -0.6019                -1.9379                 0.1597
 Raman1 Fr= 1--      22.462                 73.639                 17.412
 ROA1   Fr= 1--     144.604               -121.677                109.464
 CID1   Fr= 1--       6.438                 -1.652                  6.287
 Raman2 Fr= 1--       8.518                 17.703                  5.947
 ROA2   Fr= 1--      45.781                  0.587                 24.811
 CID2   Fr= 1--       5.375                  0.033                  4.172
 Raman3 Fr= 1--      17.036                 35.407                 11.894
 ROA3   Fr= 1--     144.604               -121.677                109.464
 CID3   Fr= 1--       8.488                 -3.437                  9.204
 RC180  Fr= 1--       0.517                 -0.038                  0.366
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.7016                15.9005                35.4512
  Dep-P Fr= 1--      0.2029                 0.3750                 0.3710
  Dep-U Fr= 1--      0.3374                 0.5455                 0.5412
 Alpha2 Fr= 1--      0.0903                 0.1285                 0.2904
 Beta2  Fr= 1--      0.3769                 1.4455                 3.1975
 AlphaG Fr= 1--     -0.0268                -0.0325                 0.1896
 Gamma2 Fr= 1--     -1.3135                -1.0927                 2.2321
 Delta2 Fr= 1--      0.3878                 0.4222                 0.2935
 Raman1 Fr= 1--      26.806                 63.602                141.805
 ROA1   Fr= 1--    -113.684                -91.391                223.679
 CID1   Fr= 1--      -4.241                 -1.437                  1.577
 Raman2 Fr= 1--       4.522                 17.346                 38.370
 ROA2   Fr= 1--     -34.626                -29.603                 51.223
 CID2   Fr= 1--      -7.657                 -1.707                  1.335
 Raman3 Fr= 1--       9.045                 34.693                 76.739
 ROA3   Fr= 1--    -113.684                -91.391                223.679
 CID3   Fr= 1--     -12.569                 -2.634                  2.915
 RC180  Fr= 1--      -0.325                  0.091                  0.082
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      3.4271                 7.1461                 0.7415
  Dep-P Fr= 1--      0.3512                 0.3891                 0.5700
  Dep-U Fr= 1--      0.5198                 0.5602                 0.7261
 Alpha2 Fr= 1--      0.0300                 0.0550                 0.0025
 Beta2  Fr= 1--      0.2969                 0.6672                 0.0897
 AlphaG Fr= 1--      0.7045                 0.0406                 0.0078
 Gamma2 Fr= 1--      1.7276                 2.5433                 0.2620
 Delta2 Fr= 1--      0.1217                 2.1084                -0.0321
 Raman1 Fr= 1--      13.709                 28.584                  2.966
 ROA1   Fr= 1--     169.744                311.624                 24.121
 CID1   Fr= 1--      12.382                 10.902                  8.133
 Raman2 Fr= 1--       3.563                  8.006                  1.077
 ROA2   Fr= 1--      40.488                 44.171                  6.544
 CID2   Fr= 1--      11.364                  5.517                  6.078
 Raman3 Fr= 1--       7.126                 16.013                  2.153
 ROA3   Fr= 1--     169.744                311.624                 24.121
 CID3   Fr= 1--      23.821                 19.461                 11.201
 RC180  Fr= 1--       0.040                  0.120                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     80.2496                 7.7708                73.6642
  Dep-P Fr= 1--      0.2503                 0.5054                 0.3913
  Dep-U Fr= 1--      0.4003                 0.6715                 0.5624
 Alpha2 Fr= 1--      0.9504                 0.0374                 0.5628
 Beta2  Fr= 1--      5.3543                 0.8696                 6.9054
 AlphaG Fr= 1--      1.1069                 0.2014                 1.7739
 Gamma2 Fr= 1--      8.4401                 6.6820                12.5148
 Delta2 Fr= 1--      2.2619                -0.5372                 1.7030
 Raman1 Fr= 1--     320.998                 31.083                294.657
 ROA1   Fr= 1--     882.626                624.279               1255.917
 CID1   Fr= 1--       2.750                 20.084                  4.262
 Raman2 Fr= 1--      64.251                 10.436                 82.864
 ROA2   Fr= 1--     184.467                164.666                286.732
 CID2   Fr= 1--       2.871                 15.779                  3.460
 Raman3 Fr= 1--     128.502                 20.871                165.729
 ROA3   Fr= 1--     882.626                624.279               1255.917
 CID3   Fr= 1--       6.869                 29.911                  7.578
 RC180  Fr= 1--      -0.199                  0.343                  0.125
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.6912                15.8847                12.6479
  Dep-P Fr= 1--      0.7385                 0.5520                 0.2735
  Dep-U Fr= 1--      0.8496                 0.7113                 0.4296
 Alpha2 Fr= 1--      0.0009                 0.0600                 0.1402
 Beta2  Fr= 1--      0.6642                 1.8832                 0.9055
 AlphaG Fr= 1--     -0.0022                 0.1253                 0.1160
 Gamma2 Fr= 1--      0.9161                 4.4112                 0.7313
 Delta2 Fr= 1--      0.9313                 0.5153                 0.3940
 Raman1 Fr= 1--      18.765                 63.539                 50.592
 ROA1   Fr= 1--     117.746                439.963                 82.814
 CID1   Fr= 1--       6.275                  6.924                  1.637
 Raman2 Fr= 1--       7.971                 22.599                 10.866
 ROA2   Fr= 1--      14.536                101.746                 14.399
 CID2   Fr= 1--       1.824                  4.502                  1.325
 Raman3 Fr= 1--      15.942                 45.197                 21.732
 ROA3   Fr= 1--     117.746                439.963                 82.814
 CID3   Fr= 1--       7.386                  9.734                  3.811
 RC180  Fr= 1--       0.699                  0.423                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     70.6377                 5.0205                 3.6793
  Dep-P Fr= 1--      0.2344                 0.3336                 0.7473
  Dep-U Fr= 1--      0.3798                 0.5003                 0.8554
 Alpha2 Fr= 1--      0.8742                 0.0465                 0.0002
 Beta2  Fr= 1--      4.4711                 0.4186                 0.5246
 AlphaG Fr= 1--      0.3103                -0.0466                -0.0024
 Gamma2 Fr= 1--     13.3000                -1.4625                 0.8889
 Delta2 Fr= 1--      6.7384                -0.5029                -1.3294
 Raman1 Fr= 1--     282.551                 20.082                 14.717
 ROA1   Fr= 1--    1492.427               -156.497                 42.795
 CID1   Fr= 1--       5.282                 -7.793                  2.908
 Raman2 Fr= 1--      53.653                  5.023                  6.295
 ROA2   Fr= 1--     265.293                -31.078                 31.970
 CID2   Fr= 1--       4.945                 -6.187                  5.079
 Raman3 Fr= 1--     107.306                 10.046                 12.589
 ROA3   Fr= 1--    1492.427               -156.497                 42.795
 CID3   Fr= 1--      13.908                -15.578                  3.399
 RC180  Fr= 1--      -0.240                  0.001                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     36.9351                13.3306                14.3706
  Dep-P Fr= 1--      0.1972                 0.2074                 0.2756
  Dep-U Fr= 1--      0.3295                 0.3435                 0.4322
 Alpha2 Fr= 1--      0.5053                 0.1775                 0.1583
 Beta2  Fr= 1--      2.0282                 0.7632                 1.0351
 AlphaG Fr= 1--     -0.3695                 0.1870                -0.1134
 Gamma2 Fr= 1--     -4.7696                -3.8599                 2.2058
 Delta2 Fr= 1--      0.1600                -1.1861                 0.3337
 Raman1 Fr= 1--     147.740                 53.322                 57.482
 ROA1   Fr= 1--    -452.756               -408.505                222.433
 CID1   Fr= 1--      -3.065                 -7.661                  3.870
 Raman2 Fr= 1--      24.338                  9.158                 12.421
 ROA2   Fr= 1--    -115.749                -83.149                 50.268
 CID2   Fr= 1--      -4.756                 -9.079                  4.047
 Raman3 Fr= 1--      48.676                 18.316                 24.842
 ROA3   Fr= 1--    -452.756               -408.505                222.433
 CID3   Fr= 1--      -9.301                -22.303                  8.954
 RC180  Fr= 1--      -0.341                 -0.313                 -0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     30.9332                 0.6683                 2.8624
  Dep-P Fr= 1--      0.2922                 0.6881                 0.4625
  Dep-U Fr= 1--      0.4523                 0.8152                 0.6325
 Alpha2 Fr= 1--      0.3247                 0.0007                 0.0167
 Beta2  Fr= 1--      2.3318                 0.0908                 0.3017
 AlphaG Fr= 1--      0.1226                 0.0005                 0.0222
 Gamma2 Fr= 1--      0.5820                 0.2943                -0.1118
 Delta2 Fr= 1--      0.5490                -0.0734                -0.0254
 Raman1 Fr= 1--     123.733                  2.673                 11.450
 ROA1   Fr= 1--      73.441                 25.905                -11.548
 CID1   Fr= 1--       0.594                  9.691                 -1.009
 Raman2 Fr= 1--      27.981                  1.090                  3.621
 ROA2   Fr= 1--       9.576                  7.651                 -2.480
 CID2   Fr= 1--       0.342                  7.022                 -0.685
 Raman3 Fr= 1--      55.962                  2.179                  7.242
 ROA3   Fr= 1--      73.441                 25.905                -11.548
 CID3   Fr= 1--       1.312                 11.887                 -1.595
 RC180  Fr= 1--      -0.095                  0.630                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      1.0696                 3.4922                 4.4940
  Dep-P Fr= 1--      0.6928                 0.7458                 0.7498
  Dep-U Fr= 1--      0.8185                 0.8544                 0.8570
 Alpha2 Fr= 1--      0.0011                 0.0003                 0.0000
 Beta2  Fr= 1--      0.1459                 0.4973                 0.6419
 AlphaG Fr= 1--      0.0080                 0.0037                -0.0020
 Gamma2 Fr= 1--      0.2958                 0.6371                 1.0194
 Delta2 Fr= 1--     -0.1134                 0.4698                 0.9098
 Raman1 Fr= 1--       4.278                 13.969                 17.976
 ROA1   Fr= 1--      24.763                 76.193                126.979
 CID1   Fr= 1--       5.788                  5.455                  7.064
 Raman2 Fr= 1--       1.751                  5.967                  7.703
 ROA2   Fr= 1--       8.006                 11.531                 17.188
 CID2   Fr= 1--       4.572                  1.932                  2.231
 Raman3 Fr= 1--       3.502                 11.934                 15.406
 ROA3   Fr= 1--      24.763                 76.193                126.979
 CID3   Fr= 1--       7.072                  6.384                  8.242
 RC180  Fr= 1--       0.637                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      4.3732                 8.7127                 4.5490
  Dep-P Fr= 1--      0.6145                 0.7299                 0.5865
  Dep-U Fr= 1--      0.7612                 0.8439                 0.7394
 Alpha2 Fr= 1--      0.0109                 0.0030                 0.0139
 Beta2  Fr= 1--      0.5548                 1.2254                 0.5606
 AlphaG Fr= 1--      0.0108                 0.0032                 0.0097
 Gamma2 Fr= 1--     -1.2375                -1.3051                 0.9571
 Delta2 Fr= 1--     -1.2492                -0.1859                 0.3683
 Raman1 Fr= 1--      17.493                 34.851                 18.196
 ROA1   Fr= 1--    -158.778               -131.240                103.667
 CID1   Fr= 1--      -9.077                 -3.766                  5.697
 Raman2 Fr= 1--       6.658                 14.705                  6.727
 ROA2   Fr= 1--     -19.707                -29.835                 20.025
 CID2   Fr= 1--      -2.960                 -2.029                  2.977
 Raman3 Fr= 1--      13.316                 29.410                 13.454
 ROA3   Fr= 1--    -158.778               -131.240                103.667
 CID3   Fr= 1--     -11.924                 -4.462                  7.705
 RC180  Fr= 1--       0.522                  0.688                  0.479
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--     13.8493                 6.9713                 0.5438
  Dep-P Fr= 1--      0.6598                 0.6537                 0.3945
  Dep-U Fr= 1--      0.7950                 0.7906                 0.5658
 Alpha2 Fr= 1--      0.0223                 0.0120                 0.0041
 Beta2  Fr= 1--      1.8351                 0.9186                 0.0513
 AlphaG Fr= 1--      0.0079                -0.0122                 0.0051
 Gamma2 Fr= 1--      3.0271                -0.0216                -0.1606
 Delta2 Fr= 1--     -0.9632                 1.1867                 0.2779
 Raman1 Fr= 1--      55.397                 27.885                  2.175
 ROA1   Fr= 1--     259.778                 35.900                 -6.521
 CID1   Fr= 1--       4.689                  1.287                 -2.998
 Raman2 Fr= 1--      22.021                 11.023                  0.615
 ROA2   Fr= 1--      80.356                -10.012                 -6.077
 CID2   Fr= 1--       3.649                 -0.908                 -9.874
 Raman3 Fr= 1--      44.042                 22.046                  1.231
 ROA3   Fr= 1--     259.778                 35.900                 -6.521
 CID3   Fr= 1--       5.898                  1.628                 -5.298
 RC180  Fr= 1--       0.590                  0.581                  0.132
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    430.4363               266.3013                 9.9840
  Dep-P Fr= 1--      0.2909                 0.3411                 0.3859
  Dep-U Fr= 1--      0.4507                 0.5086                 0.5569
 Alpha2 Fr= 1--      4.5353                 2.4061                 0.0777
 Beta2  Fr= 1--     32.3352                22.5750                 0.9266
 AlphaG Fr= 1--      2.2647                 0.3027                 0.1325
 Gamma2 Fr= 1--     16.4325                -0.8101                -0.8872
 Delta2 Fr= 1--      0.6642                 1.4748                -0.8660
 Raman1 Fr= 1--    1721.745               1065.205                 39.936
 ROA1   Fr= 1--    1598.770                -30.579               -112.881
 CID1   Fr= 1--       0.929                 -0.029                 -2.827
 Raman2 Fr= 1--     388.023                270.900                 11.120
 ROA2   Fr= 1--     389.065                -31.242                -14.364
 CID2   Fr= 1--       1.003                 -0.115                 -1.292
 Raman3 Fr= 1--     776.045                541.799                 22.239
 ROA3   Fr= 1--    1598.770                -30.579               -112.881
 CID3   Fr= 1--       2.060                 -0.056                 -5.076
 RC180  Fr= 1--      -0.099                  0.017                  0.114
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    150.9142               322.4626               155.5828
  Dep-P Fr= 1--      0.1433                 0.0564                 0.0109
  Dep-U Fr= 1--      0.2507                 0.1068                 0.0216
 Alpha2 Fr= 1--      2.3726                 6.2730                 3.3703
 Beta2  Fr= 1--      6.3065                 5.7399                 0.5597
 AlphaG Fr= 1--      1.0641                -4.8860                 1.2331
 Gamma2 Fr= 1--     10.4566               -13.2280                 1.1561
 Delta2 Fr= 1--      8.1514               -22.4781                -2.3807
 Raman1 Fr= 1--     603.657               1289.851                622.331
 ROA1   Fr= 1--    1264.677              -1989.192                 34.799
 CID1   Fr= 1--       2.095                 -1.542                  0.056
 Raman2 Fr= 1--      75.678                 68.879                  6.716
 ROA2   Fr= 1--     185.747               -137.648                 46.791
 CID2   Fr= 1--       2.454                 -1.998                  6.967
 Raman3 Fr= 1--     151.356                137.758                 13.433
 ROA3   Fr= 1--    1264.677              -1989.192                 34.799
 CID3   Fr= 1--       8.356                -14.440                  2.591
 RC180  Fr= 1--      -0.499                 -0.786                 -0.957
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    178.6505                24.6767               153.3005
  Dep-P Fr= 1--      0.0931                 0.7472                 0.0612
  Dep-U Fr= 1--      0.1703                 0.8553                 0.1153
 Alpha2 Fr= 1--      3.1813                 0.0012                 2.9485
 Beta2  Fr= 1--      5.0700                 3.5177                 2.9454
 AlphaG Fr= 1--     -0.8330                -0.0267                 1.7153
 Gamma2 Fr= 1--      0.5638                -2.0836               -12.3926
 Delta2 Fr= 1--     -5.2251                -3.0340                -9.2148
 Raman1 Fr= 1--     714.602                 98.707                613.202
 ROA1   Fr= 1--    -113.081               -297.116              -1484.566
 CID1   Fr= 1--      -0.158                 -3.010                 -2.421
 Raman2 Fr= 1--      60.840                 42.212                 35.345
 ROA2   Fr= 1--      55.332                -25.735               -223.705
 CID2   Fr= 1--       0.909                 -0.610                 -6.329
 Raman3 Fr= 1--     121.679                 84.424                 70.690
 ROA3   Fr= 1--    -113.081               -297.116              -1484.566
 CID3   Fr= 1--      -0.929                 -3.519                -21.001
 RC180  Fr= 1--      -0.659                  0.711                 -0.769
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    156.8787                83.4733                39.0896
  Dep-P Fr= 1--      0.7116                 0.7310                 0.7442
  Dep-U Fr= 1--      0.8315                 0.8446                 0.8534
 Alpha2 Fr= 1--      0.1042                 0.0272                 0.0038
 Beta2  Fr= 1--     21.7411                11.7498                 5.5597
 AlphaG Fr= 1--      0.3616                 0.0113                 0.0997
 Gamma2 Fr= 1--     -0.0727                 7.6285                 4.0738
 Delta2 Fr= 1--     11.8640                -2.7548                 3.6995
 Raman1 Fr= 1--     627.515                333.893                156.358
 ROA1   Fr= 1--     372.667                644.186                509.468
 CID1   Fr= 1--       0.594                  1.929                  3.258
 Raman2 Fr= 1--     260.894                140.998                 66.716
 ROA2   Fr= 1--     -96.657                205.123                 68.175
 CID2   Fr= 1--      -0.370                  1.455                  1.022
 Raman3 Fr= 1--     521.787                281.995                133.432
 ROA3   Fr= 1--     372.667                644.186                509.468
 CID3   Fr= 1--       0.714                  2.284                  3.818
 RC180  Fr= 1--       0.663                  0.689                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     51.9651                81.6443                55.3323
  Dep-P Fr= 1--      0.4770                 0.6422                 0.7343
  Dep-U Fr= 1--      0.6459                 0.7821                 0.8468
 Alpha2 Fr= 1--      0.2846                 0.1589                 0.0149
 Beta2  Fr= 1--      5.5941                10.6422                 7.8090
 AlphaG Fr= 1--      0.5376                 0.1478                -0.0762
 Gamma2 Fr= 1--    -64.6045                63.6722                23.4155
 Delta2 Fr= 1--    -35.2193                38.5764                 9.8280
 Raman1 Fr= 1--     207.860                326.577                221.329
 ROA1   Fr= 1--   -7329.050               7346.979               2562.385
 CID1   Fr= 1--     -35.260                 22.497                 11.577
 Raman2 Fr= 1--      67.129                127.706                 93.708
 ROA2   Fr= 1--   -1268.753               1219.522                483.348
 CID2   Fr= 1--     -18.900                  9.549                  5.158
 Raman3 Fr= 1--     134.258                255.413                187.415
 ROA3   Fr= 1--   -7329.050               7346.979               2562.385
 CID3   Fr= 1--     -54.589                 28.765                 13.672
 RC180  Fr= 1--       0.292                  0.564                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     75.0904                87.3130                50.2302
  Dep-P Fr= 1--      0.1755                 0.6263                 0.2013
  Dep-U Fr= 1--      0.2986                 0.7702                 0.3351
 Alpha2 Fr= 1--      1.0874                 0.1968                 0.6799
 Beta2  Fr= 1--      3.7370                11.2079                 2.8052
 AlphaG Fr= 1--      0.3533                -0.1869                -0.2019
 Gamma2 Fr= 1--      1.9919                 0.3287                -3.4737
 Delta2 Fr= 1--      4.0602                -3.3952                -0.1862
 Raman1 Fr= 1--     300.361                349.252                200.921
 ROA1   Fr= 1--     321.153                -77.097               -339.435
 CID1   Fr= 1--       1.069                 -0.221                 -1.689
 Raman2 Fr= 1--      44.844                134.495                 33.663
 ROA2   Fr= 1--      15.325                 35.050                -81.879
 CID2   Fr= 1--       0.342                  0.261                 -2.432
 Raman3 Fr= 1--      89.688                268.990                 67.326
 ROA3   Fr= 1--     321.153                -77.097               -339.435
 CID3   Fr= 1--       3.581                 -0.287                 -5.042
 RC180  Fr= 1--      -0.403                  0.540                 -0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173181D+03 -0.542979D+01  0.761763D+01
      2  -0.542979D+01  0.122332D+03 -0.437513D+01
      3   0.761763D+01 -0.437513D+01  0.105238D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.436858D+01 -0.338896D+01 -0.908502D+01
      2   0.501590D+02 -0.177945D+02 -0.318129D+02
      3  -0.462775D+01  0.198691D+02  0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.570202D+02 -0.145002D+02  0.426022D+02
      2  -0.143115D+02  0.187488D+02 -0.144349D+02
      3  -0.427086D+02 -0.424858D+01 -0.281673D+02
      4   0.112662D+02 -0.358218D+02 -0.397663D+02
      5   0.338530D+02 -0.404351D+02 -0.817070D+02
      6  -0.169194D+02  0.165851D+01  0.246143D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105695D+01 -0.432811D+00 -0.498515D+01  0.116494D+01  0.778537D+00
      2  -0.432811D+00  0.806642D+00  0.272694D+01  0.778537D+00 -0.353465D+01
      3  -0.498515D+01  0.272694D+01  0.171717D+01  0.261722D+01  0.336421D+01
                 6             7             8             9            10 
      1   0.261722D+01 -0.609459D+01  0.291592D+01  0.192540D+01 -0.215404D+02
      2   0.336421D+01  0.291592D+01  0.380573D+01 -0.196111D+01  0.255097D+01
      3  -0.683790D+00  0.192540D+01 -0.196111D+01 -0.246082D+01  0.592934D+01
                11            12            13            14            15 
      1   0.255097D+01  0.592934D+01  0.124136D+02 -0.340370D+01 -0.323960D+01
      2  -0.247428D+01 -0.251076D+01 -0.340370D+01  0.438812D+01 -0.414571D+01
      3  -0.251076D+01 -0.134232D+01 -0.323960D+01 -0.414571D+01  0.231122D+01
                16            17            18            19            20 
      1   0.236121D+02 -0.396792D+01 -0.399577D+01  0.404147D+02 -0.414831D+01
      2  -0.396792D+01 -0.308340D+01  0.185480D+01 -0.414831D+01  0.316144D+01
      3  -0.399577D+01  0.185480D+01  0.712118D+00 -0.694640D+00  0.104153D+01
                21            22            23            24            25 
      1  -0.694640D+00 -0.159782D+02  0.364863D+01  0.196935D+01 -0.743002D+01
      2   0.104153D+01  0.364863D+01  0.137253D+01 -0.170903D+01  0.253612D+01
      3   0.243299D+01  0.196935D+01 -0.170903D+01 -0.286108D+01  0.623267D+01
                26            27            28            29            30 
      1   0.253612D+01  0.623267D+01 -0.543887D+02  0.498727D+01 -0.480996D+01
      2  -0.296630D+01 -0.284204D+01  0.498727D+01 -0.209542D+01 -0.988942D-01
      3  -0.284204D+01  0.552678D+01 -0.480996D+01 -0.988942D-01 -0.207908D+01
                31            32            33            34            35 
      1   0.157948D+02 -0.522138D+01  0.113736D+01 -0.177124D+02 -0.706364D-01
      2  -0.522138D+01 -0.125142D+01  0.126392D+01 -0.706364D-01  0.134375D+01
      3   0.113736D+01  0.126392D+01  0.132941D+01 -0.671784D+01  0.621747D+00
                36            37            38            39            40 
      1  -0.671784D+01  0.509094D+02 -0.677658D+01  0.730143D+01 -0.112050D+02
      2   0.621747D+00 -0.677658D+01  0.100157D+01 -0.339790D+00  0.409073D+01
      3  -0.518394D+01  0.730143D+01 -0.339790D+00  0.269487D+01 -0.646631D+00
                41            42            43            44            45 
      1   0.409073D+01 -0.646631D+00  0.174879D+02 -0.126610D+01  0.573733D+01
      2   0.203751D+01 -0.221098D+01 -0.126610D+01 -0.226909D+01 -0.867059D+00
      3  -0.221098D+01 -0.160536D+01  0.573733D+01 -0.867059D+00  0.290868D+01
                46            47            48            49            50 
      1  -0.370072D+02  0.695115D+01 -0.800220D+01  0.940381D+01 -0.388906D+01
      2   0.695115D+01 -0.157816D+01  0.239773D+01 -0.388906D+01 -0.316001D+01
      3  -0.800220D+01  0.239773D+01 -0.145386D+01  0.390021D+01  0.656639D+00
                51            52            53            54            55 
      1   0.390021D+01 -0.130816D+02  0.369521D+01 -0.269339D+01  0.327916D+02
      2   0.656639D+00  0.369521D+01  0.102397D+01  0.887164D+00 -0.645044D+01
      3   0.101822D+01 -0.269339D+01  0.887164D+00 -0.112211D+01  0.638094D+01
                56            57            58            59            60 
      1  -0.645044D+01  0.638094D+01 -0.230229D+02  0.689110D+01 -0.465266D+01
      2   0.252015D+01 -0.147868D+01  0.689110D+01 -0.446898D+01  0.192198D+01
      3  -0.147868D+01  0.225056D+01 -0.465266D+01  0.192198D+01 -0.189697D+01
                61            62            63            64            65 
      1   0.151949D+02 -0.228236D+01  0.701834D+01  0.364814D+01 -0.438405D+00
      2  -0.228236D+01  0.747408D+00 -0.269156D+01 -0.438405D+00  0.124079D+01
      3   0.701834D+01 -0.269156D+01  0.464057D+01 -0.475234D+01  0.278214D+01
                66            67            68            69            70 
      1  -0.475234D+01 -0.144937D+00  0.272087D+01  0.261277D+01 -0.875639D+01
      2   0.278214D+01  0.272087D+01 -0.145097D+01  0.495551D+01  0.267836D+01
      3   0.687672D+00  0.261277D+01  0.495551D+01 -0.105788D+01  0.317115D+01
                71            72            73            74            75 
      1   0.267836D+01  0.317115D+01  0.718677D+01  0.241510D+01 -0.392516D+01
      2   0.439917D+01 -0.164467D+01  0.241510D+01  0.380507D+00 -0.185541D+01
      3  -0.164467D+01  0.128244D+01 -0.392516D+01 -0.185541D+01 -0.208753D+01
                76            77            78            79            80 
      1   0.352715D+01  0.435414D+00 -0.234107D+01 -0.481026D+01 -0.114575D+01
      2   0.435414D+00 -0.541839D+01  0.340615D+01 -0.114575D+01  0.341557D+01
      3  -0.234107D+01  0.340615D+01  0.690019D+00 -0.208300D+01  0.160742D+01
                81            82            83            84            85 
      1  -0.208300D+01  0.614182D+00  0.164148D+01  0.928788D+00  0.284034D+00
      2   0.160742D+01  0.164148D+01 -0.263395D+01  0.275497D+01 -0.266645D+01
      3  -0.166158D+01  0.928788D+00  0.275497D+01  0.289040D+01  0.239813D+01
                86            87            88            89            90 
      1  -0.266645D+01  0.239813D+01 -0.751946D+00  0.373511D+01  0.292444D+01
      2   0.699281D+00  0.175571D+01  0.373511D+01  0.150360D+01 -0.751244D+00
      3   0.175571D+01 -0.773794D+00  0.292444D+01 -0.751244D+00 -0.160576D+01
                91            92            93            94            95 
      1  -0.914952D+01 -0.202052D+01 -0.226150D+01  0.395663D+00  0.400492D+01
      2  -0.202052D+01  0.400810D+01 -0.325530D+00  0.400492D+01  0.133358D+01
      3  -0.226150D+01 -0.325530D+00  0.175408D+01 -0.457014D+00 -0.181026D+01
                96            97            98            99           100 
      1  -0.457014D+00 -0.353792D+01 -0.615349D+00  0.253865D+00 -0.900275D+01
      2  -0.181026D+01 -0.615349D+00 -0.183035D+01 -0.213190D+01 -0.308821D+01
      3  -0.127343D+01  0.253865D+00 -0.213190D+01  0.454595D+01  0.379127D+01
               101           102           103           104           105 
      1  -0.308821D+01  0.379127D+01 -0.136702D+01 -0.199345D+01  0.101316D+01
      2  -0.244876D+01  0.140983D+01 -0.199345D+01 -0.139274D+01  0.798184D+00
      3   0.140983D+01 -0.233202D+01  0.101316D+01  0.798184D+00 -0.767770D+00
               106           107           108           109           110 
      1   0.913570D+00  0.919878D+00 -0.168645D+01  0.168785D+01 -0.377447D+00
      2   0.919878D+00  0.460176D+00 -0.103971D+01 -0.377447D+00  0.979577D+00
      3  -0.168645D+01 -0.103971D+01  0.200961D+01  0.153663D+01 -0.202663D+00
               111           112           113           114           115 
      1   0.153663D+01  0.484978D+00  0.775008D-01  0.155343D+00  0.782242D+00
      2  -0.202663D+00  0.775008D-01 -0.704419D-01  0.496354D+00 -0.556941D-01
      3   0.318654D+01  0.155343D+00  0.496354D+00 -0.222951D+00  0.132085D+01
               116           117           118           119           120 
      1  -0.556941D-01  0.132085D+01 -0.601582D+01  0.940088D+00 -0.186512D+01
      2   0.119547D+01 -0.108171D+01  0.940088D+00 -0.510982D+00  0.217521D+00
      3  -0.108171D+01  0.645153D+01 -0.186512D+01  0.217521D+00 -0.214988D+01
               121           122           123           124           125 
      1   0.567559D+01 -0.916499D+00  0.453414D+00 -0.280766D+01 -0.897267D-01
      2  -0.916499D+00  0.480408D+00 -0.119443D+01 -0.897267D-01 -0.920197D+00
      3   0.453414D+00 -0.119443D+01  0.154873D+01 -0.380788D+01  0.120429D+01
               126           127           128           129           130 
      1  -0.380788D+01  0.303931D+01 -0.174856D+01 -0.368890D+00 -0.882297D+00
      2   0.120429D+01 -0.174856D+01  0.375997D+01 -0.584602D-01  0.189863D+01
      3  -0.927282D+01 -0.368890D+00 -0.584602D-01  0.387776D+00 -0.191498D+00
               131           132           133           134           135 
      1   0.189863D+01 -0.191498D+00  0.572343D+00 -0.488735D+00 -0.375322D-01
      2  -0.573141D+01 -0.264604D+00 -0.488735D+00  0.871556D+00 -0.849466D+00
      3  -0.264604D+00 -0.660537D+00 -0.375322D-01 -0.849466D+00  0.272471D+00
               136           137           138           139           140 
      1  -0.392115D+01 -0.253200D+01 -0.174390D+01 -0.148703D+01 -0.186759D+01
      2  -0.253200D+01 -0.262285D+01 -0.173626D+01 -0.186759D+01 -0.342245D+01
      3  -0.174390D+01 -0.173626D+01 -0.222827D+01 -0.118577D+01 -0.195634D+01
               141           142           143           144           145 
      1  -0.118577D+01 -0.220100D+01 -0.193593D+01 -0.194303D+01  0.496045D+00
      2  -0.195634D+01 -0.193593D+01 -0.274023D+01 -0.215787D+01  0.103360D+01
      3  -0.149724D+01 -0.194303D+01 -0.215787D+01 -0.283176D+01  0.857544D-01
               146           147           148           149           150 
      1   0.103360D+01  0.857544D-01  0.650373D+00  0.238555D+00 -0.293141D+00
      2   0.573241D+00 -0.425381D+00  0.238555D+00  0.808237D+01 -0.160157D+01
      3  -0.425381D+00 -0.555523D-01 -0.293141D+00 -0.160157D+01  0.156892D+01
               151           152           153           154           155 
      1  -0.225302D+00 -0.310962D+00 -0.551574D-01  0.557606D+01 -0.255015D+00
      2  -0.310962D+00 -0.404634D+01  0.171412D+01 -0.255015D+00  0.141065D+01
      3  -0.551574D-01  0.171412D+01 -0.133334D+01  0.200029D+01  0.380254D+00
               156           157           158           159           160 
      1   0.200029D+01 -0.122466D+01  0.711815D+00 -0.216394D+00  0.158539D+01
      2   0.380254D+00  0.711815D+00 -0.489112D-01 -0.118864D+00  0.133208D+00
      3   0.204465D+01 -0.216394D+00 -0.118864D+00 -0.482572D+00  0.145630D+01
               161           162           163           164           165 
      1   0.133208D+00  0.145630D+01 -0.452796D+01  0.204812D+01  0.328685D+01
      2   0.245424D+00  0.498689D+00  0.204812D+01 -0.236799D+01 -0.196072D+01
      3   0.498689D+00  0.240880D+01  0.328685D+01 -0.196072D+01 -0.336983D+01
               166           167           168           169           170 
      1   0.384112D+00 -0.125054D+01 -0.927958D+00  0.263178D+01 -0.164913D+01
      2  -0.125054D+01  0.194917D+01  0.110760D+01 -0.164913D+01  0.172980D+01
      3  -0.927958D+00  0.110760D+01  0.103677D+01 -0.306829D+01  0.255604D+01
               171           172           173           174           175 
      1  -0.306829D+01 -0.786716D+01  0.210176D+01  0.243755D+01  0.210190D+01
      2   0.255604D+01  0.210176D+01 -0.127370D+01 -0.803687D+00 -0.201948D+01
      3   0.510441D+01  0.243755D+01 -0.803687D+00 -0.172145D+01 -0.700696D+00
               176           177           178           179           180 
      1  -0.201948D+01 -0.700696D+00  0.721652D+01 -0.185372D+01 -0.277648D+01
      2   0.132225D+01  0.176255D+00 -0.185372D+01  0.100479D+01  0.964224D+00
      3   0.176255D+00  0.639514D+00 -0.277648D+01  0.964224D+00  0.232290D+01
               181           182           183           184           185 
      1  -0.260293D+01 -0.135162D+01 -0.102318D+01 -0.324468D+01 -0.176193D+01
      2  -0.135162D+01 -0.110329D+01 -0.983502D+00 -0.176193D+01 -0.313734D+01
      3  -0.102318D+01 -0.983502D+00 -0.120285D+01 -0.186071D+01 -0.213616D+01
               186           187           188           189           190 
      1  -0.186071D+01 -0.152848D+01 -0.110356D+01 -0.213979D+01 -0.450068D+00
      2  -0.213616D+01 -0.110356D+01 -0.200032D+01 -0.128717D+01  0.612435D+00
      3  -0.209857D+01 -0.213979D+01 -0.128717D+01 -0.283049D+01 -0.130559D+00
               191           192           193           194           195 
      1   0.612435D+00 -0.130559D+00  0.188174D+01 -0.176858D+01  0.798821D+00
      2   0.398394D+00 -0.458050D+00 -0.176858D+01  0.540343D+01 -0.333660D+01
      3  -0.458050D+00  0.384209D+00  0.798821D+00 -0.333660D+01  0.283788D+01
               196           197           198           199           200 
      1  -0.643649D+00  0.694064D+00 -0.142064D+01 -0.249147D+00  0.140576D+01
      2   0.694064D+00 -0.329670D+01  0.280874D+01  0.140576D+01  0.865412D+00
      3  -0.142064D+01  0.280874D+01 -0.362419D+01 -0.736875D+00 -0.277209D+00
               201           202           203           204           205 
      1  -0.736875D+00  0.143047D+01  0.117019D+01 -0.651598D-01 -0.210396D+01
      2  -0.277209D+00  0.117019D+01  0.528178D+01 -0.187205D+01  0.281870D+00
      3  -0.111333D+00 -0.651598D-01 -0.187205D+01  0.133107D+01  0.793587D+00
               206           207           208           209           210 
      1   0.281870D+00  0.793587D+00  0.228403D+00 -0.107831D+01  0.419637D+00
      2  -0.162311D+01  0.106714D+01 -0.107831D+01  0.398294D-01 -0.313826D-01
      3   0.106714D+01 -0.686321D+00  0.419637D+00 -0.313826D-01  0.156557D+00
               211           212           213           214           215 
      1  -0.226822D+01 -0.599846D+00 -0.891512D-01  0.820208D+00 -0.120806D+00
      2  -0.599846D+00 -0.629244D+01  0.155063D+01 -0.120806D+00  0.199508D+01
      3  -0.891512D-01  0.155063D+01 -0.119009D+01 -0.269647D+00 -0.108989D+01
               216           217           218           219           220 
      1  -0.269647D+00  0.133427D+01  0.218812D+00 -0.492842D+00  0.116817D+01
      2  -0.108989D+01  0.218812D+00 -0.897749D+00  0.182332D+00  0.145628D+00
      3   0.693119D+00 -0.492842D+00  0.182332D+00 -0.553338D+00  0.632722D-01
               221           222           223           224           225 
      1   0.145628D+00  0.632722D-01 -0.233560D+01 -0.108645D+01  0.103157D+01
      2   0.111333D+01 -0.874886D+00 -0.108645D+01 -0.222494D+01  0.219100D+01
      3  -0.874886D+00  0.968479D+00  0.103157D+01  0.219100D+01 -0.747417D+01
               226           227           228           229           230 
      1   0.104937D+02  0.295807D+01  0.678513D+00  0.127199D+01  0.105596D+01
      2   0.295807D+01  0.178217D+01  0.188329D+00  0.105596D+01  0.834404D+00
      3   0.678513D+00  0.188329D+00  0.117175D+01  0.181158D+00  0.330153D+00
               231           232           233           234           235 
      1   0.181158D+00  0.175370D+01  0.606708D+00  0.121067D+01 -0.640790D+00
      2   0.330153D+00  0.606708D+00  0.696629D+00  0.625701D+00  0.833600D+00
      3   0.256954D+00  0.121067D+01  0.625701D+00  0.122897D+00  0.101531D+01
               236           237           238           239           240 
      1   0.833600D+00  0.101531D+01  0.279168D+01 -0.509966D+00 -0.432755D+00
      2  -0.292132D+01 -0.535193D+00 -0.509966D+00  0.508201D+01  0.144820D+01
      3  -0.535193D+00 -0.107192D+01 -0.432755D+00  0.144820D+01  0.153485D+01
               241           242           243 
      1   0.145010D+01 -0.153615D+00 -0.381271D+00
      2  -0.153615D+00  0.256287D+01  0.179432D+01
      3  -0.381271D+00  0.179432D+01  0.108503D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.114080D+02 -0.552805D+01  0.348362D+00 -0.225214D+01 -0.139042D+02
      2   0.157094D+02 -0.298047D+01  0.549488D+01 -0.653665D+01 -0.498461D+01
      3  -0.690882D+01 -0.340826D+01 -0.591977D+01  0.542757D+01 -0.522623D+01
                 6             7             8             9            10 
      1   0.455087D+01 -0.901767D+00  0.131454D+02  0.332052D+01 -0.125097D+02
      2  -0.203915D+01 -0.339787D+00 -0.114044D+01  0.223545D+01 -0.392952D+02
      3   0.107620D+02 -0.466896D+01  0.134812D+02 -0.959204D-01  0.549261D+01
                11            12            13            14            15 
      1   0.364639D+01  0.211893D+01  0.210326D+01  0.643894D+01 -0.841770D+01
      2   0.883753D+01  0.660900D+01  0.232882D+02  0.788531D+01 -0.612678D+01
      3  -0.835322D+01 -0.396577D+01 -0.115685D+01  0.753334D+01 -0.136664D+02
                16            17            18            19            20 
      1   0.114379D+02 -0.304546D+00  0.322762D-01  0.128712D+02 -0.437783D+01
      2   0.217621D+02 -0.489926D+01 -0.513559D+01  0.410392D+02 -0.551289D+01
      3  -0.454220D+01 -0.148231D+02  0.327402D+01 -0.707383D+01 -0.108608D+01
                21            22            23            24            25 
      1  -0.316655D+01 -0.892727D+01 -0.595807D+01  0.542807D+00 -0.133177D+02
      2   0.585620D+00 -0.222460D+02  0.529352D+01  0.496036D+01 -0.216007D+02
      3   0.133927D+01  0.121620D+02 -0.583742D-01 -0.215682D+01 -0.566592D+00
                26            27            28            29            30 
      1   0.743681D+01  0.278912D+01 -0.131857D+02  0.126863D+01  0.954954D+00
      2   0.554148D+01  0.433691D+01 -0.379285D+02  0.172943D+01 -0.832807D+01
      3  -0.765779D+00 -0.304291D+01  0.831091D+01  0.434340D+01  0.328898D+01
                31            32            33            34            35 
      1   0.359590D+01  0.330966D+01 -0.288482D+01  0.324313D+01  0.210740D+01
      2   0.881382D+01 -0.311317D+01  0.216851D+01 -0.491904D+02  0.351433D+01
      3   0.194475D+02 -0.281123D+01  0.135918D+01  0.110146D+02  0.124583D+01
                36            37            38            39            40 
      1  -0.555411D+00  0.111586D+02 -0.143197D+01 -0.275987D+01 -0.994155D+01
      2  -0.121108D+02  0.434733D+02 -0.359250D+01  0.141714D+02 -0.574597D+01
      3   0.160836D+01  0.152540D+01 -0.686326D+01 -0.247270D+01  0.845570D+01
                41            42            43            44            45 
      1   0.427185D+00 -0.219381D+01 -0.525788D+01  0.116596D+01 -0.113172D+01
      2  -0.174110D+01  0.127759D+01  0.168693D+02  0.313931D+00  0.841426D+01
      3  -0.110902D+02  0.645410D+01 -0.810687D+01  0.436909D+01 -0.154588D+01
                46            47            48            49            50 
      1  -0.995066D+01 -0.125470D+01  0.981361D+01 -0.538740D+00  0.857538D+01
      2  -0.261785D+02  0.482999D+01 -0.197632D+02  0.372481D+01  0.280855D+00
      3  -0.964487D+01  0.101609D+02  0.327629D+01  0.193554D+02  0.105640D+02
                51            52            53            54            55 
      1   0.260694D+01  0.330758D+01  0.146991D+02 -0.417409D+01  0.539459D+01
      2   0.345765D+01 -0.300427D+02 -0.152946D+01 -0.993052D+01  0.220557D+02
      3  -0.243046D+00  0.568774D+00  0.402149D+01 -0.124636D+01  0.309814D+01
                56            57            58            59            60 
      1   0.163434D+01 -0.238280D+01 -0.232197D+01 -0.291094D+01 -0.425966D+01
      2  -0.430383D+01  0.191400D+02 -0.145118D+02  0.591637D+01 -0.119115D+02
      3  -0.166602D+02 -0.260046D+00 -0.620828D+01  0.140837D+02 -0.272025D+01
                61            62            63            64            65 
      1   0.364951D+01 -0.227971D+00  0.254151D+01  0.420173D+01 -0.368745D+01
      2   0.186595D+02 -0.560364D+01  0.175238D+02  0.174288D+02 -0.104607D+02
      3  -0.753003D+00 -0.724095D+01  0.436744D+01  0.301179D+01  0.276560D+01
                66            67            68            69            70 
      1  -0.391226D+01 -0.537302D+01 -0.389207D+01 -0.438350D+01 -0.734742D+01
      2  -0.614380D+01 -0.935035D+01 -0.174073D+02  0.606753D+01 -0.219065D+02
      3   0.696187D+01  0.148792D+02 -0.357228D+01  0.226941D+02  0.612367D+01
                71            72            73            74            75 
      1   0.540224D+00 -0.684073D+00 -0.776148D+00 -0.351103D+01 -0.801128D+01
      2   0.908174D+01 -0.390358D+01  0.670758D+01 -0.189102D+01  0.138163D+02
      3   0.213754D+02 -0.371760D+01  0.378066D+00 -0.557859D+01 -0.195042D+00
                76            77            78            79            80 
      1   0.158117D+01 -0.319437D+01  0.639475D+01 -0.519589D+01  0.119301D+02
      2   0.415722D+01 -0.766612D+01  0.153822D+01  0.244821D+01 -0.129920D+01
      3   0.173587D+01 -0.139558D+02  0.122355D+02  0.937048D-01  0.122656D+02
                81            82            83            84            85 
      1   0.160743D+01  0.325925D+00  0.110963D+02  0.843002D+01  0.147124D+02
      2   0.853162D+01  0.738555D+00 -0.189555D+01 -0.984897D+00 -0.396080D+01
      3   0.899806D+01  0.323368D+01 -0.136847D+02  0.216061D+01 -0.450966D+01
                86            87            88            89            90 
      1   0.509306D+01 -0.768838D+01  0.589614D+01 -0.221076D+01 -0.463727D+01
      2  -0.365926D+01  0.238827D+01 -0.906729D+01  0.273773D+01  0.303628D+01
      3   0.778835D+01 -0.354370D+01  0.335020D+01 -0.788700D+01 -0.101447D+02
                91            92            93            94            95 
      1   0.324269D+01 -0.346070D+01 -0.551589D+01  0.502781D+00  0.373327D+01
      2  -0.110847D+02 -0.144193D+01  0.826901D+01 -0.563865D+00 -0.478574D+01
      3  -0.133710D+01 -0.225884D+02 -0.263099D+01 -0.101939D+02  0.141008D+01
                96            97            98            99           100 
      1  -0.970821D+00  0.529098D+01  0.109539D+02 -0.880411D+01  0.131028D+01
      2  -0.293496D+01 -0.476247D+01 -0.889060D+01  0.165494D+02  0.986057D+00
      3   0.672722D+01 -0.999226D+00  0.875936D+01  0.104128D+02  0.401260D+01
               101           102           103           104           105 
      1  -0.268081D+01 -0.226487D+01 -0.494645D+00 -0.716379D+00 -0.186624D+01
      2  -0.673533D+00  0.445883D+01  0.149890D+01 -0.226451D+00  0.114411D+01
      3  -0.557730D+01 -0.851224D+00 -0.403812D+00 -0.163707D+01 -0.188413D+00
               106           107           108           109           110 
      1  -0.876296D+00  0.483738D+00  0.158927D+01  0.107769D+01  0.263442D+01
      2  -0.215547D+01  0.121046D+01 -0.383156D+01 -0.659558D+01  0.127490D+01
      3  -0.104303D+01  0.733793D+00 -0.480350D+00 -0.351188D+01  0.136932D+01
               111           112           113           114           115 
      1   0.420293D+01  0.550022D+00  0.129588D+01 -0.102860D+01  0.206980D+01
      2  -0.887761D+01  0.732926D+00 -0.162081D+01 -0.102615D+00 -0.894097D+01
      3  -0.289969D+01  0.136684D+01 -0.635532D-01  0.715210D+00 -0.275000D+01
               116           117           118           119           120 
      1   0.264502D+01  0.667594D+01 -0.567426D+00  0.115802D+01 -0.330051D+00
      2   0.218089D+01 -0.163326D+02 -0.583942D+01  0.919865D+00  0.136777D+01
      3   0.168999D+01 -0.474207D+01  0.134705D+01 -0.195350D+01  0.857036D+00
               121           122           123           124           125 
      1   0.293262D+01 -0.492203D+00  0.701741D+00  0.250620D+01  0.514599D+01
      2   0.634586D+01 -0.273611D+00 -0.992337D+00 -0.283327D+01 -0.921641D+00
      3   0.931011D+00  0.100020D-01 -0.106059D+01  0.629909D+00 -0.100602D+01
               126           127           128           129           130 
      1  -0.264500D+01  0.103570D+01 -0.251792D+01  0.236707D+01 -0.936673D+00
      2   0.429897D+01  0.288895D+00  0.579678D-01  0.444996D+00  0.972579D+00
      3   0.161525D+01 -0.156947D+02  0.870617D+01  0.721698D+00  0.103643D+02
               131           132           133           134           135 
      1   0.212724D+01 -0.381068D+01  0.668363D+00 -0.825573D+00  0.139185D+01
      2   0.285671D+00 -0.681205D+00 -0.990109D+00  0.918773D+00 -0.440488D+00
      3  -0.130353D+02 -0.225863D+00 -0.235360D+01  0.291981D+01 -0.137777D+01
               136           137           138           139           140 
      1  -0.283165D+01 -0.217669D+01 -0.542338D+01 -0.162810D+01 -0.229700D+01
      2  -0.146039D+01  0.956549D+00  0.333112D+01  0.340064D+00  0.125639D+01
      3   0.503381D+01 -0.894123D+00  0.132745D+01  0.263728D+01 -0.256108D+01
               141           142           143           144           145 
      1  -0.344757D+01 -0.358787D+01 -0.107674D+01 -0.590503D+01  0.962676D+00
      2   0.204277D+01 -0.220742D+00  0.182394D+01  0.281948D+01 -0.100548D+01
      3  -0.132757D+00  0.295238D+01 -0.643126D+00  0.138128D+01  0.391463D+01
               146           147           148           149           150 
      1   0.193139D+01 -0.101717D+01  0.102968D+01  0.125641D+02 -0.827388D+01
      2  -0.469426D+00  0.589898D+00 -0.594079D+00  0.525537D+00 -0.121444D+01
      3   0.207820D+01 -0.907061D+00  0.523533D+01  0.143606D+02 -0.323377D+01
               151           152           153           154           155 
      1  -0.389358D+00 -0.657497D+01  0.618052D+01 -0.473588D+01  0.278912D+01
      2  -0.591637D+00 -0.136747D+01  0.142440D+01 -0.150317D+02  0.598620D+00
      3  -0.312006D+01 -0.841709D+01  0.303991D+01  0.132772D+02 -0.848358D+00
               156           157           158           159           160 
      1  -0.369812D+01  0.173009D+01 -0.760388D+00 -0.273551D+00 -0.311237D+01
      2  -0.383541D+01  0.309214D+01 -0.120142D+01  0.859735D+00 -0.730156D+01
      3   0.460994D+01 -0.207306D+00  0.131602D+01 -0.739884D+00  0.413330D+01
               161           162           163           164           165 
      1   0.976639D+00 -0.344453D+01 -0.414447D+01 -0.172724D-01  0.509222D+01
      2  -0.653064D+00 -0.458791D+01 -0.575775D+00  0.203446D+01  0.411590D+01
      3  -0.105327D+01  0.377398D+01 -0.386647D+01 -0.307491D+01  0.169363D+01
               166           167           168           169           170 
      1   0.647747D+00  0.393392D+00 -0.251868D+01  0.408991D+01 -0.826550D+00
      2  -0.976755D+00 -0.601646D+00 -0.562369D+00 -0.202068D+01 -0.234862D+01
      3   0.109631D+01  0.173998D+01 -0.340276D+00  0.447511D+01  0.867750D+00
               171           172           173           174           175 
      1  -0.748300D+01 -0.372314D+01  0.937963D+00  0.281517D+01  0.149806D+01
      2  -0.622634D+01 -0.130342D+02  0.451762D+01  0.110344D+02  0.389165D+01
      3  -0.912046D+00 -0.163014D+00 -0.594926D+01 -0.112534D+01 -0.409866D+01
               176           177           178           179           180 
      1  -0.526521D+00 -0.160797D+01  0.357227D+01  0.168843D+00 -0.290164D+01
      2  -0.165403D+01 -0.367616D+01  0.118932D+02 -0.440923D+01 -0.118796D+02
      3   0.365883D+01 -0.146099D+00 -0.880041D+00  0.328167D+01  0.133985D+01
               181           182           183           184           185 
      1   0.184838D+01  0.204005D+01  0.117177D+01  0.206614D+01  0.562160D+01
      2   0.202215D+01  0.244832D+01  0.487091D+01  0.327599D+01  0.692519D+01
      3  -0.639690D+01 -0.603165D+01 -0.455306D+01 -0.603360D+01 -0.150524D+02
               186           187           188           189           190 
      1   0.156307D+01  0.221049D+01  0.436227D+01  0.214368D+01 -0.341010D+00
      2   0.743420D+01  0.427680D+01  0.412158D+01  0.892550D+01  0.962198D+00
      3  -0.924622D+01 -0.455474D+01 -0.957635D+01 -0.615446D+01  0.271164D+01
               191           192           193           194           195 
      1   0.125202D+00 -0.139540D+00 -0.210057D+00 -0.166498D+01 -0.277074D+01
      2   0.183765D+01 -0.295184D+00 -0.482121D+00  0.110854D+02 -0.103027D+02
      3   0.931656D+00 -0.156733D+01 -0.178557D+01  0.182053D+02 -0.114571D+02
               196           197           198           199           200 
      1   0.950640D+00  0.174681D+01  0.253139D+01  0.127038D+00 -0.147702D+01
      2   0.240902D+01 -0.959123D+01  0.119128D+02 -0.367038D+00  0.156920D+01
      3   0.494471D+00 -0.123912D+02  0.927240D+01  0.685514D+00 -0.202832D+00
               201           202           203           204           205 
      1  -0.395723D+00 -0.285118D+01 -0.607448D+01 -0.131042D+01 -0.563627D+01
      2  -0.382070D+00  0.237938D+01  0.125758D+01  0.472683D+00 -0.282477D+01
      3   0.272257D+00  0.274006D+01 -0.199495D+01 -0.186726D+00 -0.143181D+01
               206           207           208           209           210 
      1   0.255745D+01 -0.122873D+01  0.100867D+01  0.503848D-03 -0.936925D-01
      2  -0.185002D-01  0.447630D+00  0.251347D+01 -0.525847D+00  0.499865D+00
      3   0.520361D+00 -0.106703D+01  0.374581D+01  0.743061D+00 -0.198061D+00
               211           212           213           214           215 
      1  -0.835403D+00  0.608270D+00 -0.361654D+01 -0.192106D+01  0.209702D+00
      2  -0.536294D+00  0.379599D+01 -0.240020D+01 -0.396749D+01 -0.264079D+01
      3   0.719259D+01  0.137801D+02 -0.341163D+01 -0.127311D+01 -0.428432D+01
               216           217           218           219           220 
      1   0.692824D+00 -0.436920D+00 -0.371188D+00  0.143027D+01 -0.134526D+01
      2   0.104303D+01 -0.113422D+01  0.795937D+00 -0.181397D+01  0.207933D+01
      3   0.236484D+01 -0.430787D+00  0.267906D+01 -0.175070D+01  0.346939D+00
               221           222           223           224           225 
      1   0.917653D+00 -0.194247D+01 -0.270530D+01 -0.271721D+01  0.133847D+02
      2  -0.284160D+01  0.310696D+01  0.138668D+01  0.777548D+01 -0.257728D+02
      3  -0.417257D+01  0.280495D+01 -0.673834D-01  0.577437D+01 -0.761602D+01
               226           227           228           229           230 
      1  -0.237826D+01 -0.683285D+00 -0.229777D+01 -0.770533D+00 -0.782651D+00
      2   0.639624D+01  0.179087D+01  0.680968D+01  0.157080D+01  0.159658D+01
      3   0.395607D+01 -0.516759D+01  0.599570D+00  0.894340D+00 -0.135021D+01
               231           232           233           234           235 
      1  -0.140280D+01 -0.116670D+01 -0.523709D-01 -0.291833D+00 -0.392172D+00
      2   0.143973D+01  0.346075D+01  0.197280D+01  0.104234D+01  0.301692D+01
      3  -0.100187D+01  0.149228D+00 -0.234715D+01 -0.109396D+01 -0.599228D+01
               236           237           238           239           240 
      1   0.391358D+01  0.266368D+01  0.166899D+01 -0.574250D+01 -0.430834D+01
      2  -0.264007D+01 -0.256834D+01 -0.658947D+00  0.567246D+01  0.458601D+01
      3   0.129805D+02  0.437413D+01  0.691711D+01 -0.205843D+02 -0.623835D+01
               241           242           243 
      1  -0.191301D+00 -0.429431D+01 -0.318055D+01
      2  -0.996632D+00  0.683519D+01  0.379741D+01
      3   0.312525D+01 -0.108704D+02 -0.821109D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150710D+02 -0.896060D+00  0.843886D+01 -0.612974D+01  0.123078D+01
      2   0.541193D+01 -0.676060D+01 -0.243075D+01 -0.125461D+01 -0.188323D+02
      3  -0.204829D+02  0.765666D+01 -0.600811D+01  0.738435D+01  0.176015D+02
      4  -0.637827D+00 -0.354552D+01 -0.213740D+02 -0.336416D+01  0.135156D+02
      5   0.159253D+02 -0.124979D+02 -0.171215D+02 -0.113468D+02 -0.834335D+01
      6  -0.152058D+02  0.132143D+02  0.110796D+02  0.732534D+01  0.140687D+02
                 6             7             8             9            10 
      1  -0.182713D+02  0.598515D+01 -0.203178D+02 -0.123919D+01 -0.200906D+02
      2   0.234001D+02 -0.148469D+01  0.301039D+02  0.263465D+01  0.795302D+01
      3  -0.512880D+01 -0.450047D+01 -0.978608D+01 -0.139546D+01  0.121376D+02
      4  -0.325952D+01 -0.240928D+02 -0.785338D+00  0.136753D+02  0.302218D+01
      5   0.785506D+01 -0.191017D+02  0.141094D+02  0.139257D+02 -0.307995D+02
      6   0.128177D+01  0.127850D+02 -0.346342D+01 -0.774166D+01  0.105324D+02
                11            12            13            14            15 
      1   0.386312D+01 -0.211191D+02  0.116867D+02  0.998970D+01  0.162126D+02
      2  -0.336390D+00  0.611470D+01 -0.521313D+01  0.303199D+01 -0.823313D+01
      3  -0.352673D+01  0.150044D+02 -0.647356D+01 -0.130217D+02 -0.797942D+01
      4   0.851248D+01  0.141199D+02  0.102250D+02 -0.248867D+02  0.161187D+02
      5   0.113755D+02  0.471665D+01  0.134104D+02  0.208641D+02 -0.100687D+02
      6  -0.108976D+02 -0.349139D+01  0.150752D+01 -0.545883D+00 -0.780778D+01
                16            17            18            19            20 
      1  -0.228764D+02  0.199849D+02 -0.186385D+01  0.367371D+02  0.474480D+01
      2   0.240964D+01 -0.190434D+02 -0.480888D+01 -0.123574D+02 -0.758970D+01
      3   0.204668D+02 -0.941449D+00  0.667273D+01 -0.243797D+02  0.284490D+01
      4   0.176695D+02  0.101004D+02 -0.825679D+01  0.124089D+01 -0.531628D+01
      5   0.166475D+02 -0.100392D+02 -0.832534D+00  0.213699D+01 -0.147770D+01
      6  -0.898505D+01  0.563099D-01  0.214394D+01 -0.580509D+01  0.340569D+01
                21            22            23            24            25 
      1   0.556175D+01  0.238478D+01 -0.411150D+01 -0.816523D+01  0.291201D+02
      2   0.471577D+01 -0.402202D+01 -0.603486D+01 -0.467242D+00  0.542474D+01
      3  -0.102775D+02  0.163724D+01  0.101464D+02  0.863247D+01 -0.345448D+02
      4  -0.314099D+01 -0.758021D+01 -0.297964D+01  0.203001D+01 -0.130679D+02
      5  -0.543751D+01 -0.595242D+01 -0.852513D-01  0.711901D+01 -0.156091D+02
      6   0.414039D+01 -0.604774D-01 -0.633152D+01  0.274909D+01  0.532511D+01
                26            27            28            29            30 
      1  -0.121280D+02  0.204055D+02 -0.112226D+03  0.782895D+01 -0.130003D+02
      2   0.758264D+01  0.988981D+01  0.444271D+02 -0.589643D+01  0.467299D+01
      3   0.454534D+01 -0.302953D+02  0.677986D+02 -0.193252D+01  0.832734D+01
      4   0.712151D+01  0.949947D+01  0.135573D+02 -0.125397D+02  0.496554D+00
      5   0.109976D+02 -0.186312D+02 -0.408646D+01 -0.124359D+01 -0.108508D+02
      6   0.175560D+00 -0.935542D+00  0.866146D+01  0.359569D+01  0.218314D+01
                31            32            33            34            35 
      1   0.408271D+02 -0.468664D+01  0.283172D+01 -0.463868D+02 -0.243640D+01
      2  -0.193442D+02  0.355957D+01  0.660025D+00  0.128702D+02  0.335521D+01
      3  -0.214829D+02  0.112707D+01 -0.349174D+01  0.335166D+02 -0.918804D+00
      4  -0.101149D+02 -0.267880D+00  0.146650D+01  0.755470D+01 -0.442218D+01
      5   0.763775D+01  0.316009D+01  0.176755D+01 -0.978220D+01 -0.134853D+01
      6   0.165784D+01  0.926283D+01 -0.108253D+01  0.114087D+01  0.408003D+01
                36            37            38            39            40 
      1  -0.303221D+02  0.151932D+03 -0.233823D+02  0.311887D+02 -0.197685D+02
      2  -0.232213D-01 -0.669625D+02  0.116274D+02 -0.113485D+02  0.516759D+01
      3   0.303454D+02 -0.849695D+02  0.117549D+02 -0.198402D+02  0.146009D+02
      4   0.273225D+01 -0.420282D+02  0.138443D+02 -0.563535D+01  0.157355D+02
      5  -0.155258D+02  0.256045D+02 -0.179639D+01  0.214133D+02  0.361497D+01
      6   0.512837D+01 -0.123609D+02 -0.213348D+01 -0.359124D+01 -0.166965D+01
                41            42            43            44            45 
      1   0.109908D+02 -0.104589D+02  0.415220D+02 -0.106034D+02  0.103246D+02
      2  -0.950169D+01  0.402455D+01 -0.189658D+02  0.909959D+01 -0.755168D+01
      3  -0.148911D+01  0.643437D+01 -0.225562D+02  0.150384D+01 -0.277296D+01
      4   0.100765D+02 -0.686274D+01 -0.638731D+01 -0.781615D+01 -0.433900D+01
      5  -0.892637D+01 -0.181772D+01  0.283764D+02 -0.499824D+01  0.795785D+01
      6   0.609189D+01  0.395517D+01 -0.940120D+01  0.462776D+01  0.295016D+00
                46            47            48            49            50 
      1  -0.132080D+03  0.376183D+02 -0.272611D+02  0.535847D+02 -0.223167D+02
      2   0.616097D+02 -0.185813D+02  0.154740D+02 -0.335193D+02  0.311087D+01
      3   0.704700D+02 -0.190370D+02  0.117871D+02 -0.200654D+02  0.192058D+02
      4   0.637596D+02 -0.327647D+02  0.184368D+02 -0.364588D+02 -0.207035D+02
      5  -0.466341D+02  0.145768D+02 -0.279640D+02  0.289643D+02  0.291406D+01
      6   0.189074D+02 -0.651429D+01  0.202709D+01  0.822299D+00  0.630506D+01
                51            52            53            54            55 
      1   0.174235D+02 -0.596796D+02  0.157969D+02 -0.177625D+02  0.157834D+03
      2  -0.136245D+02  0.296443D+02 -0.319923D+01  0.576431D+01 -0.777448D+02
      3  -0.379900D+01  0.300353D+02 -0.125977D+02  0.119982D+02 -0.800891D+02
      4   0.307680D+01  0.357101D+02  0.860409D+00  0.740458D+01 -0.647101D+02
      5   0.243814D+01 -0.142466D+02  0.529832D+01 -0.149424D+02  0.424622D+02
      6  -0.659610D+01  0.184855D+01  0.123279D+01  0.585530D+01 -0.101527D+02
                56            57            58            59            60 
      1  -0.380186D+02  0.293814D+02 -0.932671D+02  0.275998D+02 -0.150522D+02
      2   0.137362D+02 -0.180552D+02  0.386646D+02 -0.169332D+01  0.882832D+01
      3   0.242824D+02 -0.113263D+02  0.546025D+02 -0.259065D+02  0.622389D+01
      4   0.380767D+02 -0.135237D+02  0.663871D+02 -0.421735D+02  0.155674D+02
      5  -0.114535D+02  0.315730D+02 -0.277129D+02  0.129283D+02 -0.162871D+02
      6   0.507825D+01 -0.611244D+01  0.113887D+02 -0.757073D+01  0.121099D+02
                61            62            63            64            65 
      1   0.588529D+02 -0.673701D+01  0.269993D+02 -0.133290D+02  0.119313D+01
      2  -0.342564D+02  0.444826D+01 -0.222185D+02  0.521319D+01  0.202293D+01
      3  -0.245965D+02  0.228875D+01 -0.478083D+01  0.811579D+01 -0.321605D+01
      4  -0.231054D+02  0.107125D+02 -0.211145D+02  0.179234D+01 -0.842530D+01
      5   0.535800D+02 -0.195456D+02  0.379467D+02  0.367378D+02 -0.212860D+02
      6  -0.107873D+02  0.113083D+02 -0.102244D+02 -0.114158D+02  0.316495D+01
                66            67            68            69            70 
      1   0.305273D+02 -0.427156D+01 -0.642424D+01 -0.295069D+02  0.448280D+02
      2  -0.121729D+02  0.666532D+01  0.554129D+01  0.197628D+02 -0.175907D+02
      3  -0.183543D+02 -0.239377D+01  0.882950D+00  0.974405D+01 -0.272374D+02
      4  -0.237956D+02 -0.172341D+02  0.797021D+01 -0.280644D+02 -0.255383D+02
      5  -0.691425D+01 -0.199367D+02 -0.306119D+02  0.458745D+01 -0.212830D+02
      6  -0.228641D+00 -0.145283D+01  0.112813D+02 -0.112384D+02  0.346350D+01
                71            72            73            74            75 
      1  -0.314814D+02 -0.114293D+02 -0.184130D+02 -0.150853D+02  0.228096D+02
      2   0.222608D+02  0.548624D+01  0.112894D+02  0.825736D+01  0.306280D+01
      3   0.922068D+01  0.594307D+01  0.712361D+01  0.682793D+01 -0.258724D+02
      4  -0.252673D+02  0.950757D+01 -0.251025D+02 -0.879113D+01  0.145272D+02
      5   0.834033D+01 -0.643792D+01  0.269205D+02  0.137070D+02 -0.323757D+01
      6  -0.128457D+02  0.321139D+01  0.122665D+02  0.109058D+02  0.240100D+01
                76            77            78            79            80 
      1  -0.134854D+02 -0.890919D+01  0.132856D+02  0.122733D+02  0.749295D+01
      2   0.102491D+02  0.135136D+01 -0.147995D+02  0.437032D+01 -0.659913D+01
      3   0.323630D+01  0.755784D+01  0.151386D+01 -0.166437D+02 -0.893821D+00
      4  -0.838454D+01  0.234131D+02 -0.102475D+02  0.956215D+01 -0.519079D+01
      5   0.177242D+02 -0.171003D+02 -0.549280D+01  0.842398D+00 -0.602678D+01
      6   0.462133D+00 -0.117884D+02  0.259535D+01  0.375416D+01 -0.160120D+01
                81            82            83            84            85 
      1   0.147675D+02  0.515591D+01 -0.127774D+02  0.436303D+01 -0.888216D+01
      2  -0.359863D+01 -0.742856D+01  0.196189D+02 -0.128268D+02  0.113769D+02
      3  -0.111689D+02  0.227265D+01 -0.684145D+01  0.846381D+01 -0.249475D+01
      4  -0.161170D+01 -0.584019D+01 -0.517658D+01 -0.119833D+02  0.369419D+00
      5   0.697671D+00 -0.613862D+01 -0.128261D+02 -0.115336D+02 -0.131156D+02
      6   0.361161D+01 -0.606468D+01 -0.142126D+02 -0.140437D+02 -0.997348D+01
                86            87            88            89            90 
      1   0.504491D+01 -0.364810D+01  0.103815D+02 -0.433356D+01 -0.129467D+02
      2  -0.296047D+01 -0.281195D+00 -0.188340D+02 -0.307530D+01  0.959133D+01
      3  -0.208443D+01  0.392929D+01  0.845251D+01  0.740885D+01  0.335537D+01
      4   0.515419D+01 -0.110469D+02 -0.113441D+02 -0.162600D+02 -0.879633D+01
      5  -0.556895D+01  0.276185D+01 -0.151221D+02 -0.281368D+01  0.369807D+01
      6  -0.234021D+01 -0.160782D+01 -0.144129D+02 -0.117333D+01  0.128587D+01
                91            92            93            94            95 
      1  -0.612674D+02 -0.306598D+02 -0.142309D+02 -0.116665D+02  0.212915D+02
      2   0.259612D+02  0.256766D+02  0.113938D+02  0.142841D+02 -0.729251D+01
      3   0.353063D+02  0.498323D+01  0.283704D+01 -0.261754D+01 -0.139990D+02
      4  -0.251997D+02  0.192183D+02 -0.684035D+01  0.232650D+02  0.189200D+02
      5  -0.130060D+02 -0.381304D+01  0.133274D+02 -0.469379D+01 -0.125570D+02
      6  -0.603881D+01  0.111894D+01  0.678959D+01 -0.189870D+01 -0.114790D+02
                96            97            98            99           100 
      1   0.262340D+01 -0.233755D+02 -0.269818D+00  0.185849D+02  0.489370D+02
      2  -0.807700D+01  0.113613D+02 -0.123342D+02 -0.362433D+01 -0.257342D+02
      3   0.545360D+01  0.120141D+02  0.126040D+02 -0.149606D+02 -0.232029D+02
      4  -0.104818D+02 -0.961861D+01 -0.100465D+02 -0.106343D+02  0.359145D+02
      5  -0.502626D+01  0.300827D+01 -0.124815D+02  0.298061D+02 -0.353568D+02
      6  -0.329914D+00  0.122083D+01 -0.786917D+01  0.142298D+02 -0.140391D+02
               101           102           103           104           105 
      1   0.119825D+02 -0.150974D+02  0.896759D+01  0.542687D+01 -0.245258D+01
      2  -0.292547D+01  0.103042D+02 -0.128406D+01  0.304564D+01  0.161992D+01
      3  -0.905703D+01  0.479316D+01 -0.768353D+01 -0.847251D+01  0.832661D+00
      4   0.226121D+02 -0.148393D+02  0.186092D+02  0.131430D+02 -0.762678D+01
      5  -0.127538D+02  0.215338D+02 -0.920855D+01 -0.729575D+01  0.611915D+01
      6  -0.963213D+01  0.894943D+01 -0.791760D+01 -0.509709D+01  0.592107D+01
               106           107           108           109           110 
      1  -0.986556D+01 -0.237957D+01  0.378823D+01 -0.429929D+01  0.554832D+01
      2   0.721041D+01  0.286495D+01 -0.662532D+01 -0.198991D+01 -0.352945D+01
      3   0.265514D+01 -0.485379D+00  0.283709D+01  0.628920D+01 -0.201886D+01
      4  -0.905542D+01 -0.544177D+01  0.910833D+01 -0.248854D+00 -0.130787D+01
      5   0.167458D+02  0.759996D+01 -0.141087D+02 -0.833576D+00 -0.124762D+01
      6   0.708303D+01  0.524145D+01 -0.778234D+01 -0.447088D+01  0.333149D+01
               111           112           113           114           115 
      1  -0.155286D+02  0.176509D+01 -0.420537D+01  0.274888D+00 -0.106548D+02
      2  -0.261169D+01 -0.139445D+01  0.104394D+01 -0.116257D+01  0.136731D+01
      3   0.181403D+02 -0.370634D+00  0.316143D+01  0.887678D+00  0.928752D+01
      4  -0.286789D+01  0.211601D+01 -0.123763D+01 -0.426639D+00 -0.285546D+01
      5  -0.263859D+01 -0.171624D+01  0.884947D+00  0.301853D+00  0.234699D+01
      6  -0.788466D+01  0.179518D+01 -0.193968D+01  0.736344D+01 -0.180544D+01
               116           117           118           119           120 
      1   0.493123D+01 -0.260782D+02 -0.344214D+01  0.606894D+00 -0.199547D+01
      2  -0.988548D+00 -0.925998D+01 -0.607233D+01  0.281436D+00 -0.508392D+01
      3  -0.394268D+01  0.353381D+02  0.951447D+01 -0.888330D+00  0.707940D+01
      4  -0.376953D+01  0.174723D+01  0.287908D-01  0.437979D+01 -0.106535D+01
      5   0.360272D+01 -0.144304D+02  0.841645D+01 -0.228483D+01  0.143225D+02
      6   0.760513D+01 -0.162673D+02 -0.568614D+00  0.764590D+00  0.121973D+00
               121           122           123           124           125 
      1   0.715080D+01 -0.547420D+01  0.400717D+01 -0.863142D+01  0.151484D+01
      2  -0.283317D+01  0.238042D+00  0.322629D+01 -0.754605D+01  0.367708D+01
      3  -0.431763D+01  0.523616D+01 -0.723346D+01  0.161775D+02 -0.519192D+01
      4   0.267636D+01 -0.116470D+01  0.332078D+01  0.750263D+00  0.277690D+01
      5  -0.278073D+01  0.396725D+01 -0.337204D+01  0.188206D+02 -0.357609D+01
      6   0.142449D+01 -0.124525D+01  0.773553D+01  0.586733D+00  0.570966D+01
               126           127           128           129           130 
      1  -0.289356D+02 -0.778850D+01  0.176625D+02  0.380754D+00  0.923995D+01
      2  -0.216094D+02  0.111987D+02 -0.248167D+02  0.758757D+00 -0.132601D+02
      3   0.505451D+02 -0.341017D+01  0.715421D+01 -0.113951D+01  0.402015D+01
      4  -0.228024D+01 -0.639296D+01  0.368355D+01  0.160180D+01  0.641084D+01
      5   0.258373D+02 -0.535143D+00  0.138755D+01  0.139315D+01  0.194948D+01
      6  -0.570842D+00  0.319623D-01  0.333959D+00 -0.244439D+01  0.430760D+00
               131           132           133           134           135 
      1  -0.256285D+02 -0.538071D+00 -0.249782D+01  0.416835D+01 -0.351896D+01
      2   0.386056D+02  0.692858D+00  0.328610D+01 -0.517879D+01  0.337065D+01
      3  -0.129771D+02 -0.154787D+00 -0.788283D+00  0.101043D+01  0.148302D+00
      4  -0.576696D+00  0.113780D+01  0.226572D+00  0.342541D+00  0.782598D+00
      5   0.307563D+00  0.404375D+00  0.289276D+01  0.119202D+01 -0.757486D+00
      6   0.850936D+00  0.607940D+01 -0.580836D+00  0.681319D+01 -0.166955D+01
               136           137           138           139           140 
      1   0.826388D+01  0.384233D+00  0.157598D+01  0.140618D+01 -0.651008D+01
      2   0.243284D+01  0.739391D+01  0.265429D+01  0.470994D+01  0.159244D+02
      3  -0.106967D+02 -0.777814D+01 -0.423027D+01 -0.611612D+01 -0.941428D+01
      4   0.219115D+02  0.210224D+02  0.122341D+02  0.159408D+02  0.191145D+02
      5   0.131588D+02  0.101511D+02  0.130096D+02  0.699001D+01  0.979560D+01
      6   0.106051D+02  0.110855D+02  0.116742D+02  0.794941D+01  0.137837D+02
               141           142           143           144           145 
      1  -0.349674D+01  0.184690D+00 -0.580371D+01 -0.376126D+01 -0.307387D+01
      2   0.713740D+01  0.298918D+01  0.913106D+01  0.185304D+01  0.418229D+01
      3  -0.364067D+01 -0.317387D+01 -0.332735D+01  0.190822D+01 -0.110842D+01
      4   0.108484D+02  0.131866D+02  0.147024D+02  0.137786D+02 -0.141637D+01
      5   0.743719D+01  0.123411D+02  0.109884D+02  0.143537D+02 -0.163640D-01
      6   0.108673D+02  0.115395D+02  0.150112D+02  0.165435D+02  0.159681D-02
               146           147           148           149           150 
      1  -0.544746D+01  0.778909D+00 -0.333635D+01 -0.250861D+02  0.394872D+01
      2   0.665063D+01 -0.154780D+01  0.294442D+01  0.483370D+02 -0.116702D+02
      3  -0.120317D+01  0.768895D+00  0.391925D+00 -0.232509D+02  0.772147D+01
      4   0.587028D+01  0.491277D+00  0.660655D+01 -0.199304D+02  0.312352D+01
      5   0.174843D+01  0.243971D+01  0.158850D+01  0.534358D+01 -0.479541D+01
      6  -0.106734D+01  0.404691D-01 -0.114121D+01 -0.125730D+01  0.806790D+01
               151           152           153           154           155 
      1   0.252158D+01  0.119098D+02 -0.449154D+01 -0.979988D+01 -0.538496D+01
      2  -0.150281D+01 -0.224647D+02  0.780404D+01 -0.225258D+01  0.619597D+01
      3  -0.101877D+01  0.105549D+02 -0.331250D+01  0.120525D+02 -0.811008D+00
      4  -0.201149D+01  0.103328D+02 -0.516753D+01  0.135836D+02 -0.592323D+00
      5   0.216130D+01 -0.579003D+01  0.340350D+01  0.579140D+01  0.508532D+00
      6  -0.722896D+00  0.759541D+01 -0.671224D+01  0.510614D+01  0.374161D+01
               156           157           158           159           160 
      1  -0.114541D+02  0.921312D+00 -0.212691D+01  0.359258D+01 -0.893692D+01
      2  -0.541209D+00  0.174410D+01  0.252884D+01 -0.752799D+00 -0.705286D+00
      3   0.119953D+02 -0.266541D+01 -0.401931D+00 -0.283978D+01  0.964221D+01
      4   0.641443D+01 -0.115001D+00  0.142020D+01  0.471074D+00  0.799518D+01
      5   0.348822D+01  0.675491D+00  0.183437D+01  0.798999D+00  0.562994D+01
      6   0.609727D+01  0.206261D+01 -0.141626D+01  0.146458D+01  0.312550D+01
               161           162           163           164           165 
      1   0.200585D+00 -0.101435D+02  0.104210D+02  0.312367D+00 -0.215796D+01
      2  -0.912236D+00 -0.265267D+01 -0.104029D+02 -0.150526D+01  0.777246D+01
      3   0.711650D+00  0.127961D+02 -0.181080D-01  0.119290D+01 -0.561450D+01
      4   0.309733D+00  0.246245D+01 -0.187217D+02  0.159314D+02  0.155721D+02
      5  -0.180804D+01  0.202097D-01 -0.240341D+02  0.124995D+02  0.232205D+02
      6   0.402967D+01  0.665066D+01  0.131138D+02 -0.118202D+02 -0.141833D+02
               166           167           168           169           170 
      1   0.837589D+00 -0.349369D+01 -0.207688D+01 -0.369126D+01 -0.364748D+01
      2  -0.195017D+01  0.618849D+01  0.106509D+01  0.835482D+01 -0.635473D+00
      3   0.111258D+01 -0.269480D+01  0.101178D+01 -0.466356D+01  0.428295D+01
      4   0.954734D+01 -0.107576D+02 -0.782182D+01  0.153545D+02 -0.116444D+02
      5   0.529593D+01 -0.724863D+01 -0.590240D+01  0.220911D+02 -0.134054D+02
      6  -0.736796D+01  0.799006D+01  0.980171D+01 -0.130419D+02  0.146059D+02
               171           172           173           174           175 
      1  -0.660360D+01  0.698324D+02 -0.139783D+02 -0.200882D+02 -0.131190D+02
      2  -0.978704D+01 -0.331095D+02  0.392388D+01  0.856244D+01  0.269441D+01
      3   0.163906D+02 -0.367229D+02  0.100544D+02  0.115258D+02  0.104246D+02
      4  -0.159977D+02 -0.238883D+02  0.148912D+02  0.853162D+01  0.194041D+02
      5  -0.279644D+02 -0.206437D+02  0.650239D+01  0.165972D+02  0.556610D+01
      6   0.214920D+02  0.481009D+01 -0.137658D+01 -0.329223D+01 -0.169781D+01
               176           177           178           179           180 
      1   0.962089D+01  0.572410D+01 -0.454706D+02  0.111367D+02  0.164689D+02
      2  -0.227620D+01 -0.175533D+01  0.217504D+02 -0.408150D+01 -0.956846D+01
      3  -0.734469D+01 -0.396877D+01  0.237202D+02 -0.705518D+01 -0.690047D+01
      4  -0.119899D+02 -0.323139D+01  0.181808D+02 -0.102321D+02 -0.860807D+01
      5  -0.226202D+01 -0.483442D+01  0.251542D+02 -0.772675D+01 -0.204221D+02
      6   0.740170D+00  0.429058D+01 -0.533248D+01  0.454214D+01  0.482842D+01
               181           182           183           184           185 
      1   0.215387D+02  0.101207D+02  0.760650D+01  0.236529D+02  0.907397D+01
      2  -0.132580D+02 -0.716821D+01 -0.686846D+01 -0.151444D+02 -0.621994D+01
      3  -0.828078D+01 -0.295246D+01 -0.738043D+00 -0.850853D+01 -0.285403D+01
      4   0.956222D+01  0.104191D+02  0.802319D+01  0.146699D+02  0.227005D+02
      5   0.107780D+02  0.942131D+01  0.124616D+02  0.162494D+02  0.152099D+02
      6   0.309595D+01  0.154437D+01  0.113554D+01  0.239814D+01  0.467812D+01
               186           187           188           189           190 
      1   0.111541D+02  0.110500D+02  0.764166D+01  0.953232D+01  0.215166D+01
      2  -0.108208D+02 -0.103212D+02 -0.841867D+01 -0.123701D+02 -0.423611D+00
      3  -0.333298D+00 -0.728766D+00  0.777007D+00  0.283782D+01 -0.172805D+01
      4   0.146383D+02  0.862019D+01  0.139458D+02  0.872866D+01 -0.374304D+01
      5   0.164275D+02  0.190884D+02  0.102940D+02  0.217599D+02  0.156444D+00
      6   0.472998D+01  0.108214D+01  0.582413D+01  0.236776D+01 -0.184762D+01
               191           192           193           194           195 
      1  -0.695255D+01  0.302067D+01 -0.964413D+01 -0.830439D+01  0.785641D+01
      2   0.437648D+01 -0.121736D+01  0.261711D+01  0.139090D+02 -0.524747D+01
      3   0.257607D+01 -0.180331D+01  0.702702D+01 -0.560461D+01 -0.260894D+01
      4   0.235235D+01  0.554942D+00  0.159289D+02 -0.340402D+02  0.209446D+02
      5   0.155023D+00  0.178671D+01 -0.744350D+01  0.206543D+02 -0.184133D+02
      6  -0.155575D+01  0.105481D+01  0.496398D+01 -0.180496D+02  0.151990D+02
               196           197           198           199           200 
      1   0.409716D+01  0.854944D+01 -0.476078D+01  0.372548D+00  0.192727D+01
      2  -0.290785D+01 -0.547981D+01 -0.173566D+01 -0.127075D+01 -0.798475D-01
      3  -0.118932D+01 -0.306962D+01  0.649644D+01  0.898198D+00 -0.184742D+01
      4  -0.631390D+01  0.213613D+02 -0.172383D+02  0.403720D+01  0.553421D+01
      5   0.126657D+02 -0.173313D+02  0.230190D+02 -0.174288D+01 -0.228565D+01
      6  -0.430887D+01  0.151135D+02 -0.150540D+02 -0.228231D+01 -0.923495D+00
               201           202           203           204           205 
      1  -0.142727D+01  0.233345D+01 -0.116779D+02  0.626417D+01 -0.750312D+00
      2   0.585730D+00 -0.109955D+00  0.100950D+02 -0.206888D+01  0.353489D+01
      3   0.841535D+00 -0.222349D+01  0.158289D+01 -0.419529D+01 -0.278458D+01
      4  -0.128489D+01  0.465378D+01  0.817406D+01 -0.338675D+01 -0.615707D+00
      5   0.195268D+01 -0.276795D+01 -0.500712D+01  0.322017D+01  0.212479D+01
      6   0.566395D+00 -0.124918D+01 -0.112438D+02  0.679608D+01  0.217142D+01
               206           207           208           209           210 
      1   0.537153D+01 -0.219671D+01 -0.121801D+01 -0.982973D+00  0.459280D+00
      2  -0.225388D+01  0.728798D+00  0.280506D+01  0.382111D+00 -0.153309D+00
      3  -0.311765D+01  0.146791D+01 -0.158705D+01  0.600862D+00 -0.305972D+00
      4  -0.139154D+01  0.101299D+01 -0.640402D+00  0.573848D+01 -0.131388D+01
      5   0.234606D+01 -0.834484D+00  0.933231D+00 -0.746915D+00  0.697142D+00
      6   0.528242D+01 -0.440193D+01 -0.673027D+00  0.114348D+01 -0.142069D+00
               211           212           213           214           215 
      1  -0.554170D+01 -0.200617D+02  0.478256D+01  0.305438D+01  0.668372D+01
      2   0.309417D+01  0.250321D+02 -0.439500D+01 -0.448325D+00 -0.667076D+01
      3   0.244753D+01 -0.497048D+01 -0.387555D+00 -0.260606D+01 -0.129642D-01
      4   0.271586D+01 -0.178200D+02  0.411508D+01 -0.159766D+01  0.628090D+01
      5  -0.751916D+00  0.329906D+01 -0.230295D+01 -0.494525D+00 -0.288984D+01
      6   0.853263D+00 -0.350817D+01  0.490536D+01  0.144162D+01  0.465693D+01
               216           217           218           219           220 
      1  -0.507881D+01  0.590183D+01  0.558851D+01 -0.622706D+01  0.402327D+01
      2   0.368447D+01 -0.446179D+01 -0.421830D+01  0.200044D+01 -0.181265D+01
      3   0.139433D+01 -0.144004D+01 -0.137021D+01  0.422661D+01 -0.221062D+01
      4  -0.353766D+01  0.224186D+01 -0.304082D+01 -0.889411D+00  0.272357D+01
      5   0.219885D+01 -0.337950D+01  0.404622D+00  0.193721D+00  0.331480D+00
      6  -0.338814D+01 -0.196017D+01  0.108524D+01 -0.232258D+01 -0.876242D+00
               221           222           223           224           225 
      1  -0.698546D+01  0.395254D+01 -0.933437D+01  0.384288D+01 -0.165369D+02
      2   0.527632D+01 -0.318534D+01  0.614065D+01 -0.120759D+01 -0.811582D+01
      3   0.170914D+01 -0.767197D+00  0.319373D+01 -0.263529D+01  0.246527D+02
      4   0.632225D+01 -0.506593D+01 -0.105245D+02 -0.149707D+02  0.130244D+02
      5  -0.539114D+01  0.595353D+01  0.121538D+02  0.149450D+02 -0.486611D+02
      6  -0.411054D+01  0.847798D+01  0.442719D+01  0.123356D+02 -0.237218D+02
               226           227           228           229           230 
      1   0.893278D+02  0.208612D+02  0.571535D+01  0.742819D+01  0.736333D+01
      2  -0.404870D+02 -0.601350D+01 -0.218818D+01  0.451078D+00  0.214481D+00
      3  -0.488408D+02 -0.148477D+02 -0.352717D+01 -0.787927D+01 -0.757781D+01
      4   0.431794D+02  0.221421D+02  0.319737D+01  0.150854D+02  0.978093D+01
      5   0.124837D+01  0.763689D+00  0.120470D+02  0.890985D+00  0.190445D+01
      6   0.273692D+01  0.340643D+00  0.416003D+01 -0.233579D+00  0.103915D+01
               231           232           233           234           235 
      1   0.509519D+00  0.138903D+02  0.330523D+01  0.778204D+01 -0.554119D+01
      2   0.910995D+00 -0.650876D+01  0.174648D+00 -0.488425D+01  0.601725D+01
      3  -0.142051D+01 -0.738155D+01 -0.347988D+01 -0.289778D+01 -0.476057D+00
      4   0.242885D+01  0.795313D+01  0.573136D+01  0.643038D+01 -0.690994D+00
      5   0.199147D+01  0.123969D+02  0.498870D+01  0.195898D+01  0.455450D+01
      6   0.201723D+01  0.427601D+01  0.309445D+01  0.576123D+00  0.301628D+01
               236           237           238           239           240 
      1   0.160832D+02  0.793623D+01  0.165224D+02 -0.231845D+02 -0.785985D+01
      2  -0.171027D+02 -0.610473D+01 -0.107603D+02  0.308863D+02  0.937899D+01
      3   0.101948D+01 -0.183150D+01 -0.576209D+01 -0.770175D+01 -0.151914D+01
      4  -0.103968D+02 -0.222613D-01  0.336243D+01  0.233934D+02  0.585210D+01
      5  -0.186361D+01 -0.523822D+01 -0.346191D+01  0.733028D+01  0.912980D+01
      6  -0.372106D+01 -0.468437D+01 -0.188533D+01  0.745626D+01  0.749197D+01
               241           242           243 
      1   0.931185D+01 -0.947579D+01 -0.111425D+02
      2  -0.472086D+01  0.127620D+02  0.746814D+01
      3  -0.459098D+01 -0.328617D+01  0.367435D+01
      4   0.336481D+01  0.126598D+02  0.768729D+01
      5  -0.247524D+00  0.964876D+01  0.458261D+01
      6  -0.132209D+01  0.103429D+02  0.587478D+01
 Leave Link  716 at Thu Aug 12 20:41:25 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173181D+03 -0.542979D+01  0.761763D+01
      2  -0.542979D+01  0.122332D+03 -0.437513D+01
      3   0.761763D+01 -0.437513D+01  0.105238D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.436858D+01 -0.338896D+01 -0.908502D+01
      2   0.501590D+02 -0.177945D+02 -0.318129D+02
      3  -0.462775D+01  0.198691D+02  0.150127D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.570202D+02 -0.145002D+02  0.426022D+02
      2  -0.143115D+02  0.187488D+02 -0.144349D+02
      3  -0.427086D+02 -0.424858D+01 -0.281673D+02
      4   0.112662D+02 -0.358218D+02 -0.397663D+02
      5   0.338530D+02 -0.404351D+02 -0.817070D+02
      6  -0.169194D+02  0.165851D+01  0.246143D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105695D+01 -0.432811D+00 -0.498515D+01  0.116494D+01  0.778537D+00
      2  -0.432811D+00  0.806642D+00  0.272694D+01  0.778537D+00 -0.353465D+01
      3  -0.498515D+01  0.272694D+01  0.171717D+01  0.261722D+01  0.336421D+01
                 6             7             8             9            10 
      1   0.261722D+01 -0.609459D+01  0.291592D+01  0.192540D+01 -0.215404D+02
      2   0.336421D+01  0.291592D+01  0.380573D+01 -0.196111D+01  0.255097D+01
      3  -0.683790D+00  0.192540D+01 -0.196111D+01 -0.246082D+01  0.592934D+01
                11            12            13            14            15 
      1   0.255097D+01  0.592934D+01  0.124136D+02 -0.340370D+01 -0.323960D+01
      2  -0.247428D+01 -0.251076D+01 -0.340370D+01  0.438812D+01 -0.414571D+01
      3  -0.251076D+01 -0.134232D+01 -0.323960D+01 -0.414571D+01  0.231122D+01
                16            17            18            19            20 
      1   0.236121D+02 -0.396792D+01 -0.399577D+01  0.404147D+02 -0.414831D+01
      2  -0.396792D+01 -0.308340D+01  0.185480D+01 -0.414831D+01  0.316144D+01
      3  -0.399577D+01  0.185480D+01  0.712118D+00 -0.694640D+00  0.104153D+01
                21            22            23            24            25 
      1  -0.694640D+00 -0.159782D+02  0.364863D+01  0.196935D+01 -0.743002D+01
      2   0.104153D+01  0.364863D+01  0.137253D+01 -0.170903D+01  0.253612D+01
      3   0.243299D+01  0.196935D+01 -0.170903D+01 -0.286108D+01  0.623267D+01
                26            27            28            29            30 
      1   0.253612D+01  0.623267D+01 -0.543887D+02  0.498727D+01 -0.480996D+01
      2  -0.296630D+01 -0.284204D+01  0.498727D+01 -0.209542D+01 -0.988942D-01
      3  -0.284204D+01  0.552678D+01 -0.480996D+01 -0.988942D-01 -0.207908D+01
                31            32            33            34            35 
      1   0.157948D+02 -0.522138D+01  0.113736D+01 -0.177124D+02 -0.706364D-01
      2  -0.522138D+01 -0.125142D+01  0.126392D+01 -0.706364D-01  0.134375D+01
      3   0.113736D+01  0.126392D+01  0.132941D+01 -0.671784D+01  0.621747D+00
                36            37            38            39            40 
      1  -0.671784D+01  0.509094D+02 -0.677658D+01  0.730143D+01 -0.112050D+02
      2   0.621747D+00 -0.677658D+01  0.100157D+01 -0.339790D+00  0.409073D+01
      3  -0.518394D+01  0.730143D+01 -0.339790D+00  0.269487D+01 -0.646631D+00
                41            42            43            44            45 
      1   0.409073D+01 -0.646631D+00  0.174879D+02 -0.126610D+01  0.573733D+01
      2   0.203751D+01 -0.221098D+01 -0.126610D+01 -0.226909D+01 -0.867059D+00
      3  -0.221098D+01 -0.160536D+01  0.573733D+01 -0.867059D+00  0.290868D+01
                46            47            48            49            50 
      1  -0.370072D+02  0.695115D+01 -0.800220D+01  0.940381D+01 -0.388906D+01
      2   0.695115D+01 -0.157816D+01  0.239773D+01 -0.388906D+01 -0.316001D+01
      3  -0.800220D+01  0.239773D+01 -0.145386D+01  0.390021D+01  0.656639D+00
                51            52            53            54            55 
      1   0.390021D+01 -0.130816D+02  0.369521D+01 -0.269339D+01  0.327916D+02
      2   0.656639D+00  0.369521D+01  0.102397D+01  0.887164D+00 -0.645044D+01
      3   0.101822D+01 -0.269339D+01  0.887164D+00 -0.112211D+01  0.638094D+01
                56            57            58            59            60 
      1  -0.645044D+01  0.638094D+01 -0.230229D+02  0.689110D+01 -0.465266D+01
      2   0.252015D+01 -0.147868D+01  0.689110D+01 -0.446898D+01  0.192198D+01
      3  -0.147868D+01  0.225056D+01 -0.465266D+01  0.192198D+01 -0.189697D+01
                61            62            63            64            65 
      1   0.151949D+02 -0.228236D+01  0.701834D+01  0.364814D+01 -0.438405D+00
      2  -0.228236D+01  0.747408D+00 -0.269156D+01 -0.438405D+00  0.124079D+01
      3   0.701834D+01 -0.269156D+01  0.464057D+01 -0.475234D+01  0.278214D+01
                66            67            68            69            70 
      1  -0.475234D+01 -0.144937D+00  0.272087D+01  0.261277D+01 -0.875639D+01
      2   0.278214D+01  0.272087D+01 -0.145097D+01  0.495551D+01  0.267836D+01
      3   0.687672D+00  0.261277D+01  0.495551D+01 -0.105788D+01  0.317115D+01
                71            72            73            74            75 
      1   0.267836D+01  0.317115D+01  0.718677D+01  0.241510D+01 -0.392516D+01
      2   0.439917D+01 -0.164467D+01  0.241510D+01  0.380507D+00 -0.185541D+01
      3  -0.164467D+01  0.128244D+01 -0.392516D+01 -0.185541D+01 -0.208753D+01
                76            77            78            79            80 
      1   0.352715D+01  0.435414D+00 -0.234107D+01 -0.481026D+01 -0.114575D+01
      2   0.435414D+00 -0.541839D+01  0.340615D+01 -0.114575D+01  0.341557D+01
      3  -0.234107D+01  0.340615D+01  0.690019D+00 -0.208300D+01  0.160742D+01
                81            82            83            84            85 
      1  -0.208300D+01  0.614182D+00  0.164148D+01  0.928788D+00  0.284034D+00
      2   0.160742D+01  0.164148D+01 -0.263395D+01  0.275497D+01 -0.266645D+01
      3  -0.166158D+01  0.928788D+00  0.275497D+01  0.289040D+01  0.239813D+01
                86            87            88            89            90 
      1  -0.266645D+01  0.239813D+01 -0.751946D+00  0.373511D+01  0.292444D+01
      2   0.699281D+00  0.175571D+01  0.373511D+01  0.150360D+01 -0.751244D+00
      3   0.175571D+01 -0.773794D+00  0.292444D+01 -0.751244D+00 -0.160576D+01
                91            92            93            94            95 
      1  -0.914952D+01 -0.202052D+01 -0.226150D+01  0.395663D+00  0.400492D+01
      2  -0.202052D+01  0.400810D+01 -0.325530D+00  0.400492D+01  0.133358D+01
      3  -0.226150D+01 -0.325530D+00  0.175408D+01 -0.457014D+00 -0.181026D+01
                96            97            98            99           100 
      1  -0.457014D+00 -0.353792D+01 -0.615349D+00  0.253865D+00 -0.900275D+01
      2  -0.181026D+01 -0.615349D+00 -0.183035D+01 -0.213190D+01 -0.308821D+01
      3  -0.127343D+01  0.253865D+00 -0.213190D+01  0.454595D+01  0.379127D+01
               101           102           103           104           105 
      1  -0.308821D+01  0.379127D+01 -0.136702D+01 -0.199345D+01  0.101316D+01
      2  -0.244876D+01  0.140983D+01 -0.199345D+01 -0.139274D+01  0.798184D+00
      3   0.140983D+01 -0.233202D+01  0.101316D+01  0.798184D+00 -0.767770D+00
               106           107           108           109           110 
      1   0.913570D+00  0.919878D+00 -0.168645D+01  0.168785D+01 -0.377447D+00
      2   0.919878D+00  0.460176D+00 -0.103971D+01 -0.377447D+00  0.979577D+00
      3  -0.168645D+01 -0.103971D+01  0.200961D+01  0.153663D+01 -0.202663D+00
               111           112           113           114           115 
      1   0.153663D+01  0.484978D+00  0.775008D-01  0.155343D+00  0.782242D+00
      2  -0.202663D+00  0.775008D-01 -0.704419D-01  0.496354D+00 -0.556941D-01
      3   0.318654D+01  0.155343D+00  0.496354D+00 -0.222951D+00  0.132085D+01
               116           117           118           119           120 
      1  -0.556941D-01  0.132085D+01 -0.601582D+01  0.940088D+00 -0.186512D+01
      2   0.119547D+01 -0.108171D+01  0.940088D+00 -0.510982D+00  0.217521D+00
      3  -0.108171D+01  0.645153D+01 -0.186512D+01  0.217521D+00 -0.214988D+01
               121           122           123           124           125 
      1   0.567559D+01 -0.916499D+00  0.453414D+00 -0.280766D+01 -0.897267D-01
      2  -0.916499D+00  0.480408D+00 -0.119443D+01 -0.897267D-01 -0.920197D+00
      3   0.453414D+00 -0.119443D+01  0.154873D+01 -0.380788D+01  0.120429D+01
               126           127           128           129           130 
      1  -0.380788D+01  0.303931D+01 -0.174856D+01 -0.368890D+00 -0.882297D+00
      2   0.120429D+01 -0.174856D+01  0.375997D+01 -0.584602D-01  0.189863D+01
      3  -0.927282D+01 -0.368890D+00 -0.584602D-01  0.387776D+00 -0.191498D+00
               131           132           133           134           135 
      1   0.189863D+01 -0.191498D+00  0.572343D+00 -0.488735D+00 -0.375322D-01
      2  -0.573141D+01 -0.264604D+00 -0.488735D+00  0.871556D+00 -0.849466D+00
      3  -0.264604D+00 -0.660537D+00 -0.375322D-01 -0.849466D+00  0.272471D+00
               136           137           138           139           140 
      1  -0.392115D+01 -0.253200D+01 -0.174390D+01 -0.148703D+01 -0.186759D+01
      2  -0.253200D+01 -0.262285D+01 -0.173626D+01 -0.186759D+01 -0.342245D+01
      3  -0.174390D+01 -0.173626D+01 -0.222827D+01 -0.118577D+01 -0.195634D+01
               141           142           143           144           145 
      1  -0.118577D+01 -0.220100D+01 -0.193593D+01 -0.194303D+01  0.496045D+00
      2  -0.195634D+01 -0.193593D+01 -0.274023D+01 -0.215787D+01  0.103360D+01
      3  -0.149724D+01 -0.194303D+01 -0.215787D+01 -0.283176D+01  0.857544D-01
               146           147           148           149           150 
      1   0.103360D+01  0.857544D-01  0.650373D+00  0.238555D+00 -0.293141D+00
      2   0.573241D+00 -0.425381D+00  0.238555D+00  0.808237D+01 -0.160157D+01
      3  -0.425381D+00 -0.555523D-01 -0.293141D+00 -0.160157D+01  0.156892D+01
               151           152           153           154           155 
      1  -0.225302D+00 -0.310962D+00 -0.551574D-01  0.557606D+01 -0.255015D+00
      2  -0.310962D+00 -0.404634D+01  0.171412D+01 -0.255015D+00  0.141065D+01
      3  -0.551574D-01  0.171412D+01 -0.133334D+01  0.200029D+01  0.380254D+00
               156           157           158           159           160 
      1   0.200029D+01 -0.122466D+01  0.711815D+00 -0.216394D+00  0.158539D+01
      2   0.380254D+00  0.711815D+00 -0.489112D-01 -0.118864D+00  0.133208D+00
      3   0.204465D+01 -0.216394D+00 -0.118864D+00 -0.482572D+00  0.145630D+01
               161           162           163           164           165 
      1   0.133208D+00  0.145630D+01 -0.452796D+01  0.204812D+01  0.328685D+01
      2   0.245424D+00  0.498689D+00  0.204812D+01 -0.236799D+01 -0.196072D+01
      3   0.498689D+00  0.240880D+01  0.328685D+01 -0.196072D+01 -0.336983D+01
               166           167           168           169           170 
      1   0.384112D+00 -0.125054D+01 -0.927958D+00  0.263178D+01 -0.164913D+01
      2  -0.125054D+01  0.194917D+01  0.110760D+01 -0.164913D+01  0.172980D+01
      3  -0.927958D+00  0.110760D+01  0.103677D+01 -0.306829D+01  0.255604D+01
               171           172           173           174           175 
      1  -0.306829D+01 -0.786716D+01  0.210176D+01  0.243755D+01  0.210190D+01
      2   0.255604D+01  0.210176D+01 -0.127370D+01 -0.803687D+00 -0.201948D+01
      3   0.510441D+01  0.243755D+01 -0.803687D+00 -0.172145D+01 -0.700696D+00
               176           177           178           179           180 
      1  -0.201948D+01 -0.700696D+00  0.721652D+01 -0.185372D+01 -0.277648D+01
      2   0.132225D+01  0.176255D+00 -0.185372D+01  0.100479D+01  0.964224D+00
      3   0.176255D+00  0.639514D+00 -0.277648D+01  0.964224D+00  0.232290D+01
               181           182           183           184           185 
      1  -0.260293D+01 -0.135162D+01 -0.102318D+01 -0.324468D+01 -0.176193D+01
      2  -0.135162D+01 -0.110329D+01 -0.983502D+00 -0.176193D+01 -0.313734D+01
      3  -0.102318D+01 -0.983502D+00 -0.120285D+01 -0.186071D+01 -0.213616D+01
               186           187           188           189           190 
      1  -0.186071D+01 -0.152848D+01 -0.110356D+01 -0.213979D+01 -0.450068D+00
      2  -0.213616D+01 -0.110356D+01 -0.200032D+01 -0.128717D+01  0.612435D+00
      3  -0.209857D+01 -0.213979D+01 -0.128717D+01 -0.283049D+01 -0.130559D+00
               191           192           193           194           195 
      1   0.612435D+00 -0.130559D+00  0.188174D+01 -0.176858D+01  0.798821D+00
      2   0.398394D+00 -0.458050D+00 -0.176858D+01  0.540343D+01 -0.333660D+01
      3  -0.458050D+00  0.384209D+00  0.798821D+00 -0.333660D+01  0.283788D+01
               196           197           198           199           200 
      1  -0.643649D+00  0.694064D+00 -0.142064D+01 -0.249147D+00  0.140576D+01
      2   0.694064D+00 -0.329670D+01  0.280874D+01  0.140576D+01  0.865412D+00
      3  -0.142064D+01  0.280874D+01 -0.362419D+01 -0.736875D+00 -0.277209D+00
               201           202           203           204           205 
      1  -0.736875D+00  0.143047D+01  0.117019D+01 -0.651598D-01 -0.210396D+01
      2  -0.277209D+00  0.117019D+01  0.528178D+01 -0.187205D+01  0.281870D+00
      3  -0.111333D+00 -0.651598D-01 -0.187205D+01  0.133107D+01  0.793587D+00
               206           207           208           209           210 
      1   0.281870D+00  0.793587D+00  0.228403D+00 -0.107831D+01  0.419637D+00
      2  -0.162311D+01  0.106714D+01 -0.107831D+01  0.398294D-01 -0.313826D-01
      3   0.106714D+01 -0.686321D+00  0.419637D+00 -0.313826D-01  0.156557D+00
               211           212           213           214           215 
      1  -0.226822D+01 -0.599846D+00 -0.891512D-01  0.820208D+00 -0.120806D+00
      2  -0.599846D+00 -0.629244D+01  0.155063D+01 -0.120806D+00  0.199508D+01
      3  -0.891512D-01  0.155063D+01 -0.119009D+01 -0.269647D+00 -0.108989D+01
               216           217           218           219           220 
      1  -0.269647D+00  0.133427D+01  0.218812D+00 -0.492842D+00  0.116817D+01
      2  -0.108989D+01  0.218812D+00 -0.897749D+00  0.182332D+00  0.145628D+00
      3   0.693119D+00 -0.492842D+00  0.182332D+00 -0.553338D+00  0.632722D-01
               221           222           223           224           225 
      1   0.145628D+00  0.632722D-01 -0.233560D+01 -0.108645D+01  0.103157D+01
      2   0.111333D+01 -0.874886D+00 -0.108645D+01 -0.222494D+01  0.219100D+01
      3  -0.874886D+00  0.968479D+00  0.103157D+01  0.219100D+01 -0.747417D+01
               226           227           228           229           230 
      1   0.104937D+02  0.295807D+01  0.678513D+00  0.127199D+01  0.105596D+01
      2   0.295807D+01  0.178217D+01  0.188329D+00  0.105596D+01  0.834404D+00
      3   0.678513D+00  0.188329D+00  0.117175D+01  0.181158D+00  0.330153D+00
               231           232           233           234           235 
      1   0.181158D+00  0.175370D+01  0.606708D+00  0.121067D+01 -0.640790D+00
      2   0.330153D+00  0.606708D+00  0.696629D+00  0.625701D+00  0.833600D+00
      3   0.256954D+00  0.121067D+01  0.625701D+00  0.122897D+00  0.101531D+01
               236           237           238           239           240 
      1   0.833600D+00  0.101531D+01  0.279168D+01 -0.509966D+00 -0.432755D+00
      2  -0.292132D+01 -0.535193D+00 -0.509966D+00  0.508201D+01  0.144820D+01
      3  -0.535193D+00 -0.107192D+01 -0.432755D+00  0.144820D+01  0.153485D+01
               241           242           243 
      1   0.145010D+01 -0.153615D+00 -0.381271D+00
      2  -0.153615D+00  0.256287D+01  0.179432D+01
      3  -0.381271D+00  0.179432D+01  0.108503D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.114080D+02 -0.552805D+01  0.348362D+00 -0.225214D+01 -0.139042D+02
      2   0.157094D+02 -0.298047D+01  0.549488D+01 -0.653665D+01 -0.498461D+01
      3  -0.690882D+01 -0.340826D+01 -0.591977D+01  0.542757D+01 -0.522623D+01
                 6             7             8             9            10 
      1   0.455087D+01 -0.901767D+00  0.131454D+02  0.332052D+01 -0.125097D+02
      2  -0.203915D+01 -0.339787D+00 -0.114044D+01  0.223545D+01 -0.392952D+02
      3   0.107620D+02 -0.466896D+01  0.134812D+02 -0.959204D-01  0.549261D+01
                11            12            13            14            15 
      1   0.364639D+01  0.211893D+01  0.210326D+01  0.643894D+01 -0.841770D+01
      2   0.883753D+01  0.660900D+01  0.232882D+02  0.788531D+01 -0.612678D+01
      3  -0.835322D+01 -0.396577D+01 -0.115685D+01  0.753334D+01 -0.136664D+02
                16            17            18            19            20 
      1   0.114379D+02 -0.304546D+00  0.322762D-01  0.128712D+02 -0.437783D+01
      2   0.217621D+02 -0.489926D+01 -0.513559D+01  0.410392D+02 -0.551289D+01
      3  -0.454220D+01 -0.148231D+02  0.327402D+01 -0.707383D+01 -0.108608D+01
                21            22            23            24            25 
      1  -0.316655D+01 -0.892727D+01 -0.595807D+01  0.542807D+00 -0.133177D+02
      2   0.585620D+00 -0.222460D+02  0.529352D+01  0.496036D+01 -0.216007D+02
      3   0.133927D+01  0.121620D+02 -0.583742D-01 -0.215682D+01 -0.566592D+00
                26            27            28            29            30 
      1   0.743681D+01  0.278912D+01 -0.131857D+02  0.126863D+01  0.954954D+00
      2   0.554148D+01  0.433691D+01 -0.379285D+02  0.172943D+01 -0.832807D+01
      3  -0.765779D+00 -0.304291D+01  0.831091D+01  0.434340D+01  0.328898D+01
                31            32            33            34            35 
      1   0.359590D+01  0.330966D+01 -0.288482D+01  0.324313D+01  0.210740D+01
      2   0.881382D+01 -0.311317D+01  0.216851D+01 -0.491904D+02  0.351433D+01
      3   0.194475D+02 -0.281123D+01  0.135918D+01  0.110146D+02  0.124583D+01
                36            37            38            39            40 
      1  -0.555411D+00  0.111586D+02 -0.143197D+01 -0.275987D+01 -0.994155D+01
      2  -0.121108D+02  0.434733D+02 -0.359250D+01  0.141714D+02 -0.574597D+01
      3   0.160836D+01  0.152540D+01 -0.686326D+01 -0.247270D+01  0.845570D+01
                41            42            43            44            45 
      1   0.427185D+00 -0.219381D+01 -0.525788D+01  0.116596D+01 -0.113172D+01
      2  -0.174110D+01  0.127759D+01  0.168693D+02  0.313931D+00  0.841426D+01
      3  -0.110902D+02  0.645410D+01 -0.810687D+01  0.436909D+01 -0.154588D+01
                46            47            48            49            50 
      1  -0.995066D+01 -0.125470D+01  0.981361D+01 -0.538740D+00  0.857538D+01
      2  -0.261785D+02  0.482999D+01 -0.197632D+02  0.372481D+01  0.280855D+00
      3  -0.964487D+01  0.101609D+02  0.327629D+01  0.193554D+02  0.105640D+02
                51            52            53            54            55 
      1   0.260694D+01  0.330758D+01  0.146991D+02 -0.417409D+01  0.539459D+01
      2   0.345765D+01 -0.300427D+02 -0.152946D+01 -0.993052D+01  0.220557D+02
      3  -0.243046D+00  0.568774D+00  0.402149D+01 -0.124636D+01  0.309814D+01
                56            57            58            59            60 
      1   0.163434D+01 -0.238280D+01 -0.232197D+01 -0.291094D+01 -0.425966D+01
      2  -0.430383D+01  0.191400D+02 -0.145118D+02  0.591637D+01 -0.119115D+02
      3  -0.166602D+02 -0.260046D+00 -0.620828D+01  0.140837D+02 -0.272025D+01
                61            62            63            64            65 
      1   0.364951D+01 -0.227971D+00  0.254151D+01  0.420173D+01 -0.368745D+01
      2   0.186595D+02 -0.560364D+01  0.175238D+02  0.174288D+02 -0.104607D+02
      3  -0.753003D+00 -0.724095D+01  0.436744D+01  0.301179D+01  0.276560D+01
                66            67            68            69            70 
      1  -0.391226D+01 -0.537302D+01 -0.389207D+01 -0.438350D+01 -0.734742D+01
      2  -0.614380D+01 -0.935035D+01 -0.174073D+02  0.606753D+01 -0.219065D+02
      3   0.696187D+01  0.148792D+02 -0.357228D+01  0.226941D+02  0.612367D+01
                71            72            73            74            75 
      1   0.540224D+00 -0.684073D+00 -0.776148D+00 -0.351103D+01 -0.801128D+01
      2   0.908174D+01 -0.390358D+01  0.670758D+01 -0.189102D+01  0.138163D+02
      3   0.213754D+02 -0.371760D+01  0.378066D+00 -0.557859D+01 -0.195042D+00
                76            77            78            79            80 
      1   0.158117D+01 -0.319437D+01  0.639475D+01 -0.519589D+01  0.119301D+02
      2   0.415722D+01 -0.766612D+01  0.153822D+01  0.244821D+01 -0.129920D+01
      3   0.173587D+01 -0.139558D+02  0.122355D+02  0.937048D-01  0.122656D+02
                81            82            83            84            85 
      1   0.160743D+01  0.325925D+00  0.110963D+02  0.843002D+01  0.147124D+02
      2   0.853162D+01  0.738555D+00 -0.189555D+01 -0.984897D+00 -0.396080D+01
      3   0.899806D+01  0.323368D+01 -0.136847D+02  0.216061D+01 -0.450966D+01
                86            87            88            89            90 
      1   0.509306D+01 -0.768838D+01  0.589614D+01 -0.221076D+01 -0.463727D+01
      2  -0.365926D+01  0.238827D+01 -0.906729D+01  0.273773D+01  0.303628D+01
      3   0.778835D+01 -0.354370D+01  0.335020D+01 -0.788700D+01 -0.101447D+02
                91            92            93            94            95 
      1   0.324269D+01 -0.346070D+01 -0.551589D+01  0.502781D+00  0.373327D+01
      2  -0.110847D+02 -0.144193D+01  0.826901D+01 -0.563865D+00 -0.478574D+01
      3  -0.133710D+01 -0.225884D+02 -0.263099D+01 -0.101939D+02  0.141008D+01
                96            97            98            99           100 
      1  -0.970821D+00  0.529098D+01  0.109539D+02 -0.880411D+01  0.131028D+01
      2  -0.293496D+01 -0.476247D+01 -0.889060D+01  0.165494D+02  0.986057D+00
      3   0.672722D+01 -0.999226D+00  0.875936D+01  0.104128D+02  0.401260D+01
               101           102           103           104           105 
      1  -0.268081D+01 -0.226487D+01 -0.494645D+00 -0.716379D+00 -0.186624D+01
      2  -0.673533D+00  0.445883D+01  0.149890D+01 -0.226451D+00  0.114411D+01
      3  -0.557730D+01 -0.851224D+00 -0.403812D+00 -0.163707D+01 -0.188413D+00
               106           107           108           109           110 
      1  -0.876296D+00  0.483738D+00  0.158927D+01  0.107769D+01  0.263442D+01
      2  -0.215547D+01  0.121046D+01 -0.383156D+01 -0.659558D+01  0.127490D+01
      3  -0.104303D+01  0.733793D+00 -0.480350D+00 -0.351188D+01  0.136932D+01
               111           112           113           114           115 
      1   0.420293D+01  0.550022D+00  0.129588D+01 -0.102860D+01  0.206980D+01
      2  -0.887761D+01  0.732926D+00 -0.162081D+01 -0.102615D+00 -0.894097D+01
      3  -0.289969D+01  0.136684D+01 -0.635532D-01  0.715210D+00 -0.275000D+01
               116           117           118           119           120 
      1   0.264502D+01  0.667594D+01 -0.567426D+00  0.115802D+01 -0.330051D+00
      2   0.218089D+01 -0.163326D+02 -0.583942D+01  0.919865D+00  0.136777D+01
      3   0.168999D+01 -0.474207D+01  0.134705D+01 -0.195350D+01  0.857036D+00
               121           122           123           124           125 
      1   0.293262D+01 -0.492203D+00  0.701741D+00  0.250620D+01  0.514599D+01
      2   0.634586D+01 -0.273611D+00 -0.992337D+00 -0.283327D+01 -0.921641D+00
      3   0.931011D+00  0.100020D-01 -0.106059D+01  0.629909D+00 -0.100602D+01
               126           127           128           129           130 
      1  -0.264500D+01  0.103570D+01 -0.251792D+01  0.236707D+01 -0.936673D+00
      2   0.429897D+01  0.288895D+00  0.579678D-01  0.444996D+00  0.972579D+00
      3   0.161525D+01 -0.156947D+02  0.870617D+01  0.721698D+00  0.103643D+02
               131           132           133           134           135 
      1   0.212724D+01 -0.381068D+01  0.668363D+00 -0.825573D+00  0.139185D+01
      2   0.285671D+00 -0.681205D+00 -0.990109D+00  0.918773D+00 -0.440488D+00
      3  -0.130353D+02 -0.225863D+00 -0.235360D+01  0.291981D+01 -0.137777D+01
               136           137           138           139           140 
      1  -0.283165D+01 -0.217669D+01 -0.542338D+01 -0.162810D+01 -0.229700D+01
      2  -0.146039D+01  0.956549D+00  0.333112D+01  0.340064D+00  0.125639D+01
      3   0.503381D+01 -0.894123D+00  0.132745D+01  0.263728D+01 -0.256108D+01
               141           142           143           144           145 
      1  -0.344757D+01 -0.358787D+01 -0.107674D+01 -0.590503D+01  0.962676D+00
      2   0.204277D+01 -0.220742D+00  0.182394D+01  0.281948D+01 -0.100548D+01
      3  -0.132757D+00  0.295238D+01 -0.643126D+00  0.138128D+01  0.391463D+01
               146           147           148           149           150 
      1   0.193139D+01 -0.101717D+01  0.102968D+01  0.125641D+02 -0.827388D+01
      2  -0.469426D+00  0.589898D+00 -0.594079D+00  0.525537D+00 -0.121444D+01
      3   0.207820D+01 -0.907061D+00  0.523533D+01  0.143606D+02 -0.323377D+01
               151           152           153           154           155 
      1  -0.389358D+00 -0.657497D+01  0.618052D+01 -0.473588D+01  0.278912D+01
      2  -0.591637D+00 -0.136747D+01  0.142440D+01 -0.150317D+02  0.598620D+00
      3  -0.312006D+01 -0.841709D+01  0.303991D+01  0.132772D+02 -0.848358D+00
               156           157           158           159           160 
      1  -0.369812D+01  0.173009D+01 -0.760388D+00 -0.273551D+00 -0.311237D+01
      2  -0.383541D+01  0.309214D+01 -0.120142D+01  0.859735D+00 -0.730156D+01
      3   0.460994D+01 -0.207306D+00  0.131602D+01 -0.739884D+00  0.413330D+01
               161           162           163           164           165 
      1   0.976639D+00 -0.344453D+01 -0.414447D+01 -0.172724D-01  0.509222D+01
      2  -0.653064D+00 -0.458791D+01 -0.575775D+00  0.203446D+01  0.411590D+01
      3  -0.105327D+01  0.377398D+01 -0.386647D+01 -0.307491D+01  0.169363D+01
               166           167           168           169           170 
      1   0.647747D+00  0.393392D+00 -0.251868D+01  0.408991D+01 -0.826550D+00
      2  -0.976755D+00 -0.601646D+00 -0.562369D+00 -0.202068D+01 -0.234862D+01
      3   0.109631D+01  0.173998D+01 -0.340276D+00  0.447511D+01  0.867750D+00
               171           172           173           174           175 
      1  -0.748300D+01 -0.372314D+01  0.937963D+00  0.281517D+01  0.149806D+01
      2  -0.622634D+01 -0.130342D+02  0.451762D+01  0.110344D+02  0.389165D+01
      3  -0.912046D+00 -0.163014D+00 -0.594926D+01 -0.112534D+01 -0.409866D+01
               176           177           178           179           180 
      1  -0.526521D+00 -0.160797D+01  0.357227D+01  0.168843D+00 -0.290164D+01
      2  -0.165403D+01 -0.367616D+01  0.118932D+02 -0.440923D+01 -0.118796D+02
      3   0.365883D+01 -0.146099D+00 -0.880041D+00  0.328167D+01  0.133985D+01
               181           182           183           184           185 
      1   0.184838D+01  0.204005D+01  0.117177D+01  0.206614D+01  0.562160D+01
      2   0.202215D+01  0.244832D+01  0.487091D+01  0.327599D+01  0.692519D+01
      3  -0.639690D+01 -0.603165D+01 -0.455306D+01 -0.603360D+01 -0.150524D+02
               186           187           188           189           190 
      1   0.156307D+01  0.221049D+01  0.436227D+01  0.214368D+01 -0.341010D+00
      2   0.743420D+01  0.427680D+01  0.412158D+01  0.892550D+01  0.962198D+00
      3  -0.924622D+01 -0.455474D+01 -0.957635D+01 -0.615446D+01  0.271164D+01
               191           192           193           194           195 
      1   0.125202D+00 -0.139540D+00 -0.210057D+00 -0.166498D+01 -0.277074D+01
      2   0.183765D+01 -0.295184D+00 -0.482121D+00  0.110854D+02 -0.103027D+02
      3   0.931656D+00 -0.156733D+01 -0.178557D+01  0.182053D+02 -0.114571D+02
               196           197           198           199           200 
      1   0.950640D+00  0.174681D+01  0.253139D+01  0.127038D+00 -0.147702D+01
      2   0.240902D+01 -0.959123D+01  0.119128D+02 -0.367038D+00  0.156920D+01
      3   0.494471D+00 -0.123912D+02  0.927240D+01  0.685514D+00 -0.202832D+00
               201           202           203           204           205 
      1  -0.395723D+00 -0.285118D+01 -0.607448D+01 -0.131042D+01 -0.563627D+01
      2  -0.382070D+00  0.237938D+01  0.125758D+01  0.472683D+00 -0.282477D+01
      3   0.272257D+00  0.274006D+01 -0.199495D+01 -0.186726D+00 -0.143181D+01
               206           207           208           209           210 
      1   0.255745D+01 -0.122873D+01  0.100867D+01  0.503848D-03 -0.936925D-01
      2  -0.185002D-01  0.447630D+00  0.251347D+01 -0.525847D+00  0.499865D+00
      3   0.520361D+00 -0.106703D+01  0.374581D+01  0.743061D+00 -0.198061D+00
               211           212           213           214           215 
      1  -0.835403D+00  0.608270D+00 -0.361654D+01 -0.192106D+01  0.209702D+00
      2  -0.536294D+00  0.379599D+01 -0.240020D+01 -0.396749D+01 -0.264079D+01
      3   0.719259D+01  0.137801D+02 -0.341163D+01 -0.127311D+01 -0.428432D+01
               216           217           218           219           220 
      1   0.692824D+00 -0.436920D+00 -0.371188D+00  0.143027D+01 -0.134526D+01
      2   0.104303D+01 -0.113422D+01  0.795937D+00 -0.181397D+01  0.207933D+01
      3   0.236484D+01 -0.430787D+00  0.267906D+01 -0.175070D+01  0.346939D+00
               221           222           223           224           225 
      1   0.917653D+00 -0.194247D+01 -0.270530D+01 -0.271721D+01  0.133847D+02
      2  -0.284160D+01  0.310696D+01  0.138668D+01  0.777548D+01 -0.257728D+02
      3  -0.417257D+01  0.280495D+01 -0.673834D-01  0.577437D+01 -0.761602D+01
               226           227           228           229           230 
      1  -0.237826D+01 -0.683285D+00 -0.229777D+01 -0.770533D+00 -0.782651D+00
      2   0.639624D+01  0.179087D+01  0.680968D+01  0.157080D+01  0.159658D+01
      3   0.395607D+01 -0.516759D+01  0.599570D+00  0.894340D+00 -0.135021D+01
               231           232           233           234           235 
      1  -0.140280D+01 -0.116670D+01 -0.523709D-01 -0.291833D+00 -0.392172D+00
      2   0.143973D+01  0.346075D+01  0.197280D+01  0.104234D+01  0.301692D+01
      3  -0.100187D+01  0.149228D+00 -0.234715D+01 -0.109396D+01 -0.599228D+01
               236           237           238           239           240 
      1   0.391358D+01  0.266368D+01  0.166899D+01 -0.574250D+01 -0.430834D+01
      2  -0.264007D+01 -0.256834D+01 -0.658947D+00  0.567246D+01  0.458601D+01
      3   0.129805D+02  0.437413D+01  0.691711D+01 -0.205843D+02 -0.623835D+01
               241           242           243 
      1  -0.191301D+00 -0.429431D+01 -0.318055D+01
      2  -0.996632D+00  0.683519D+01  0.379741D+01
      3   0.312525D+01 -0.108704D+02 -0.821109D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.150710D+02 -0.896060D+00  0.843886D+01 -0.612974D+01  0.123078D+01
      2   0.541193D+01 -0.676060D+01 -0.243075D+01 -0.125461D+01 -0.188323D+02
      3  -0.204829D+02  0.765666D+01 -0.600811D+01  0.738435D+01  0.176015D+02
      4  -0.637827D+00 -0.354552D+01 -0.213740D+02 -0.336416D+01  0.135156D+02
      5   0.159253D+02 -0.124979D+02 -0.171215D+02 -0.113468D+02 -0.834335D+01
      6  -0.152058D+02  0.132143D+02  0.110796D+02  0.732534D+01  0.140687D+02
                 6             7             8             9            10 
      1  -0.182713D+02  0.598515D+01 -0.203178D+02 -0.123919D+01 -0.200906D+02
      2   0.234001D+02 -0.148469D+01  0.301039D+02  0.263465D+01  0.795302D+01
      3  -0.512880D+01 -0.450047D+01 -0.978608D+01 -0.139546D+01  0.121376D+02
      4  -0.325952D+01 -0.240928D+02 -0.785338D+00  0.136753D+02  0.302218D+01
      5   0.785506D+01 -0.191017D+02  0.141094D+02  0.139257D+02 -0.307995D+02
      6   0.128177D+01  0.127850D+02 -0.346342D+01 -0.774166D+01  0.105324D+02
                11            12            13            14            15 
      1   0.386312D+01 -0.211191D+02  0.116867D+02  0.998970D+01  0.162126D+02
      2  -0.336390D+00  0.611470D+01 -0.521313D+01  0.303199D+01 -0.823313D+01
      3  -0.352673D+01  0.150044D+02 -0.647356D+01 -0.130217D+02 -0.797942D+01
      4   0.851248D+01  0.141199D+02  0.102250D+02 -0.248867D+02  0.161187D+02
      5   0.113755D+02  0.471665D+01  0.134104D+02  0.208641D+02 -0.100687D+02
      6  -0.108976D+02 -0.349139D+01  0.150752D+01 -0.545883D+00 -0.780778D+01
                16            17            18            19            20 
      1  -0.228764D+02  0.199849D+02 -0.186385D+01  0.367371D+02  0.474480D+01
      2   0.240964D+01 -0.190434D+02 -0.480888D+01 -0.123574D+02 -0.758970D+01
      3   0.204668D+02 -0.941449D+00  0.667273D+01 -0.243797D+02  0.284490D+01
      4   0.176695D+02  0.101004D+02 -0.825679D+01  0.124089D+01 -0.531628D+01
      5   0.166475D+02 -0.100392D+02 -0.832534D+00  0.213699D+01 -0.147770D+01
      6  -0.898505D+01  0.563099D-01  0.214394D+01 -0.580509D+01  0.340569D+01
                21            22            23            24            25 
      1   0.556175D+01  0.238478D+01 -0.411150D+01 -0.816523D+01  0.291201D+02
      2   0.471577D+01 -0.402202D+01 -0.603486D+01 -0.467242D+00  0.542474D+01
      3  -0.102775D+02  0.163724D+01  0.101464D+02  0.863247D+01 -0.345448D+02
      4  -0.314099D+01 -0.758021D+01 -0.297964D+01  0.203001D+01 -0.130679D+02
      5  -0.543751D+01 -0.595242D+01 -0.852513D-01  0.711901D+01 -0.156091D+02
      6   0.414039D+01 -0.604774D-01 -0.633152D+01  0.274909D+01  0.532511D+01
                26            27            28            29            30 
      1  -0.121280D+02  0.204055D+02 -0.112226D+03  0.782895D+01 -0.130003D+02
      2   0.758264D+01  0.988981D+01  0.444271D+02 -0.589643D+01  0.467299D+01
      3   0.454534D+01 -0.302953D+02  0.677986D+02 -0.193252D+01  0.832734D+01
      4   0.712151D+01  0.949947D+01  0.135573D+02 -0.125397D+02  0.496554D+00
      5   0.109976D+02 -0.186312D+02 -0.408646D+01 -0.124359D+01 -0.108508D+02
      6   0.175560D+00 -0.935542D+00  0.866146D+01  0.359569D+01  0.218314D+01
                31            32            33            34            35 
      1   0.408271D+02 -0.468664D+01  0.283172D+01 -0.463868D+02 -0.243640D+01
      2  -0.193442D+02  0.355957D+01  0.660025D+00  0.128702D+02  0.335521D+01
      3  -0.214829D+02  0.112707D+01 -0.349174D+01  0.335166D+02 -0.918804D+00
      4  -0.101149D+02 -0.267880D+00  0.146650D+01  0.755470D+01 -0.442218D+01
      5   0.763775D+01  0.316009D+01  0.176755D+01 -0.978220D+01 -0.134853D+01
      6   0.165784D+01  0.926283D+01 -0.108253D+01  0.114087D+01  0.408003D+01
                36            37            38            39            40 
      1  -0.303221D+02  0.151932D+03 -0.233823D+02  0.311887D+02 -0.197685D+02
      2  -0.232213D-01 -0.669625D+02  0.116274D+02 -0.113485D+02  0.516759D+01
      3   0.303454D+02 -0.849695D+02  0.117549D+02 -0.198402D+02  0.146009D+02
      4   0.273225D+01 -0.420282D+02  0.138443D+02 -0.563535D+01  0.157355D+02
      5  -0.155258D+02  0.256045D+02 -0.179639D+01  0.214133D+02  0.361497D+01
      6   0.512837D+01 -0.123609D+02 -0.213348D+01 -0.359124D+01 -0.166965D+01
                41            42            43            44            45 
      1   0.109908D+02 -0.104589D+02  0.415220D+02 -0.106034D+02  0.103246D+02
      2  -0.950169D+01  0.402455D+01 -0.189658D+02  0.909959D+01 -0.755168D+01
      3  -0.148911D+01  0.643437D+01 -0.225562D+02  0.150384D+01 -0.277296D+01
      4   0.100765D+02 -0.686274D+01 -0.638731D+01 -0.781615D+01 -0.433900D+01
      5  -0.892637D+01 -0.181772D+01  0.283764D+02 -0.499824D+01  0.795785D+01
      6   0.609189D+01  0.395517D+01 -0.940120D+01  0.462776D+01  0.295016D+00
                46            47            48            49            50 
      1  -0.132080D+03  0.376183D+02 -0.272611D+02  0.535847D+02 -0.223167D+02
      2   0.616097D+02 -0.185813D+02  0.154740D+02 -0.335193D+02  0.311087D+01
      3   0.704700D+02 -0.190370D+02  0.117871D+02 -0.200654D+02  0.192058D+02
      4   0.637596D+02 -0.327647D+02  0.184368D+02 -0.364588D+02 -0.207035D+02
      5  -0.466341D+02  0.145768D+02 -0.279640D+02  0.289643D+02  0.291406D+01
      6   0.189074D+02 -0.651429D+01  0.202709D+01  0.822299D+00  0.630506D+01
                51            52            53            54            55 
      1   0.174235D+02 -0.596796D+02  0.157969D+02 -0.177625D+02  0.157834D+03
      2  -0.136245D+02  0.296443D+02 -0.319923D+01  0.576431D+01 -0.777448D+02
      3  -0.379900D+01  0.300353D+02 -0.125977D+02  0.119982D+02 -0.800891D+02
      4   0.307680D+01  0.357101D+02  0.860409D+00  0.740458D+01 -0.647101D+02
      5   0.243814D+01 -0.142466D+02  0.529832D+01 -0.149424D+02  0.424622D+02
      6  -0.659610D+01  0.184855D+01  0.123279D+01  0.585530D+01 -0.101527D+02
                56            57            58            59            60 
      1  -0.380186D+02  0.293814D+02 -0.932671D+02  0.275998D+02 -0.150522D+02
      2   0.137362D+02 -0.180552D+02  0.386646D+02 -0.169332D+01  0.882832D+01
      3   0.242824D+02 -0.113263D+02  0.546025D+02 -0.259065D+02  0.622389D+01
      4   0.380767D+02 -0.135237D+02  0.663871D+02 -0.421735D+02  0.155674D+02
      5  -0.114535D+02  0.315730D+02 -0.277129D+02  0.129283D+02 -0.162871D+02
      6   0.507825D+01 -0.611244D+01  0.113887D+02 -0.757073D+01  0.121099D+02
                61            62            63            64            65 
      1   0.588529D+02 -0.673701D+01  0.269993D+02 -0.133290D+02  0.119313D+01
      2  -0.342564D+02  0.444826D+01 -0.222185D+02  0.521319D+01  0.202293D+01
      3  -0.245965D+02  0.228875D+01 -0.478083D+01  0.811579D+01 -0.321605D+01
      4  -0.231054D+02  0.107125D+02 -0.211145D+02  0.179234D+01 -0.842530D+01
      5   0.535800D+02 -0.195456D+02  0.379467D+02  0.367378D+02 -0.212860D+02
      6  -0.107873D+02  0.113083D+02 -0.102244D+02 -0.114158D+02  0.316495D+01
                66            67            68            69            70 
      1   0.305273D+02 -0.427156D+01 -0.642424D+01 -0.295069D+02  0.448280D+02
      2  -0.121729D+02  0.666532D+01  0.554129D+01  0.197628D+02 -0.175907D+02
      3  -0.183543D+02 -0.239377D+01  0.882950D+00  0.974405D+01 -0.272374D+02
      4  -0.237956D+02 -0.172341D+02  0.797021D+01 -0.280644D+02 -0.255383D+02
      5  -0.691425D+01 -0.199367D+02 -0.306119D+02  0.458745D+01 -0.212830D+02
      6  -0.228641D+00 -0.145283D+01  0.112813D+02 -0.112384D+02  0.346350D+01
                71            72            73            74            75 
      1  -0.314814D+02 -0.114293D+02 -0.184130D+02 -0.150853D+02  0.228096D+02
      2   0.222608D+02  0.548624D+01  0.112894D+02  0.825736D+01  0.306280D+01
      3   0.922068D+01  0.594307D+01  0.712361D+01  0.682793D+01 -0.258724D+02
      4  -0.252673D+02  0.950757D+01 -0.251025D+02 -0.879113D+01  0.145272D+02
      5   0.834033D+01 -0.643792D+01  0.269205D+02  0.137070D+02 -0.323757D+01
      6  -0.128457D+02  0.321139D+01  0.122665D+02  0.109058D+02  0.240100D+01
                76            77            78            79            80 
      1  -0.134854D+02 -0.890919D+01  0.132856D+02  0.122733D+02  0.749295D+01
      2   0.102491D+02  0.135136D+01 -0.147995D+02  0.437032D+01 -0.659913D+01
      3   0.323630D+01  0.755784D+01  0.151386D+01 -0.166437D+02 -0.893821D+00
      4  -0.838454D+01  0.234131D+02 -0.102475D+02  0.956215D+01 -0.519079D+01
      5   0.177242D+02 -0.171003D+02 -0.549280D+01  0.842398D+00 -0.602678D+01
      6   0.462133D+00 -0.117884D+02  0.259535D+01  0.375416D+01 -0.160120D+01
                81            82            83            84            85 
      1   0.147675D+02  0.515591D+01 -0.127774D+02  0.436303D+01 -0.888216D+01
      2  -0.359863D+01 -0.742856D+01  0.196189D+02 -0.128268D+02  0.113769D+02
      3  -0.111689D+02  0.227265D+01 -0.684145D+01  0.846381D+01 -0.249475D+01
      4  -0.161170D+01 -0.584019D+01 -0.517658D+01 -0.119833D+02  0.369419D+00
      5   0.697671D+00 -0.613862D+01 -0.128261D+02 -0.115336D+02 -0.131156D+02
      6   0.361161D+01 -0.606468D+01 -0.142126D+02 -0.140437D+02 -0.997348D+01
                86            87            88            89            90 
      1   0.504491D+01 -0.364810D+01  0.103815D+02 -0.433356D+01 -0.129467D+02
      2  -0.296047D+01 -0.281195D+00 -0.188340D+02 -0.307530D+01  0.959133D+01
      3  -0.208443D+01  0.392929D+01  0.845251D+01  0.740885D+01  0.335537D+01
      4   0.515419D+01 -0.110469D+02 -0.113441D+02 -0.162600D+02 -0.879633D+01
      5  -0.556895D+01  0.276185D+01 -0.151221D+02 -0.281368D+01  0.369807D+01
      6  -0.234021D+01 -0.160782D+01 -0.144129D+02 -0.117333D+01  0.128587D+01
                91            92            93            94            95 
      1  -0.612674D+02 -0.306598D+02 -0.142309D+02 -0.116665D+02  0.212915D+02
      2   0.259612D+02  0.256766D+02  0.113938D+02  0.142841D+02 -0.729251D+01
      3   0.353063D+02  0.498323D+01  0.283704D+01 -0.261754D+01 -0.139990D+02
      4  -0.251997D+02  0.192183D+02 -0.684035D+01  0.232650D+02  0.189200D+02
      5  -0.130060D+02 -0.381304D+01  0.133274D+02 -0.469379D+01 -0.125570D+02
      6  -0.603881D+01  0.111894D+01  0.678959D+01 -0.189870D+01 -0.114790D+02
                96            97            98            99           100 
      1   0.262340D+01 -0.233755D+02 -0.269818D+00  0.185849D+02  0.489370D+02
      2  -0.807700D+01  0.113613D+02 -0.123342D+02 -0.362433D+01 -0.257342D+02
      3   0.545360D+01  0.120141D+02  0.126040D+02 -0.149606D+02 -0.232029D+02
      4  -0.104818D+02 -0.961861D+01 -0.100465D+02 -0.106343D+02  0.359145D+02
      5  -0.502626D+01  0.300827D+01 -0.124815D+02  0.298061D+02 -0.353568D+02
      6  -0.329914D+00  0.122083D+01 -0.786917D+01  0.142298D+02 -0.140391D+02
               101           102           103           104           105 
      1   0.119825D+02 -0.150974D+02  0.896759D+01  0.542687D+01 -0.245258D+01
      2  -0.292547D+01  0.103042D+02 -0.128406D+01  0.304564D+01  0.161992D+01
      3  -0.905703D+01  0.479316D+01 -0.768353D+01 -0.847251D+01  0.832661D+00
      4   0.226121D+02 -0.148393D+02  0.186092D+02  0.131430D+02 -0.762678D+01
      5  -0.127538D+02  0.215338D+02 -0.920855D+01 -0.729575D+01  0.611915D+01
      6  -0.963213D+01  0.894943D+01 -0.791760D+01 -0.509709D+01  0.592107D+01
               106           107           108           109           110 
      1  -0.986556D+01 -0.237957D+01  0.378823D+01 -0.429929D+01  0.554832D+01
      2   0.721041D+01  0.286495D+01 -0.662532D+01 -0.198991D+01 -0.352945D+01
      3   0.265514D+01 -0.485379D+00  0.283709D+01  0.628920D+01 -0.201886D+01
      4  -0.905542D+01 -0.544177D+01  0.910833D+01 -0.248854D+00 -0.130787D+01
      5   0.167458D+02  0.759996D+01 -0.141087D+02 -0.833576D+00 -0.124762D+01
      6   0.708303D+01  0.524145D+01 -0.778234D+01 -0.447088D+01  0.333149D+01
               111           112           113           114           115 
      1  -0.155286D+02  0.176509D+01 -0.420537D+01  0.274888D+00 -0.106548D+02
      2  -0.261169D+01 -0.139445D+01  0.104394D+01 -0.116257D+01  0.136731D+01
      3   0.181403D+02 -0.370634D+00  0.316143D+01  0.887678D+00  0.928752D+01
      4  -0.286789D+01  0.211601D+01 -0.123763D+01 -0.426639D+00 -0.285546D+01
      5  -0.263859D+01 -0.171624D+01  0.884947D+00  0.301853D+00  0.234699D+01
      6  -0.788466D+01  0.179518D+01 -0.193968D+01  0.736344D+01 -0.180544D+01
               116           117           118           119           120 
      1   0.493123D+01 -0.260782D+02 -0.344214D+01  0.606894D+00 -0.199547D+01
      2  -0.988548D+00 -0.925998D+01 -0.607233D+01  0.281436D+00 -0.508392D+01
      3  -0.394268D+01  0.353381D+02  0.951447D+01 -0.888330D+00  0.707940D+01
      4  -0.376953D+01  0.174723D+01  0.287908D-01  0.437979D+01 -0.106535D+01
      5   0.360272D+01 -0.144304D+02  0.841645D+01 -0.228483D+01  0.143225D+02
      6   0.760513D+01 -0.162673D+02 -0.568614D+00  0.764590D+00  0.121973D+00
               121           122           123           124           125 
      1   0.715080D+01 -0.547420D+01  0.400717D+01 -0.863142D+01  0.151484D+01
      2  -0.283317D+01  0.238042D+00  0.322629D+01 -0.754605D+01  0.367708D+01
      3  -0.431763D+01  0.523616D+01 -0.723346D+01  0.161775D+02 -0.519192D+01
      4   0.267636D+01 -0.116470D+01  0.332078D+01  0.750263D+00  0.277690D+01
      5  -0.278073D+01  0.396725D+01 -0.337204D+01  0.188206D+02 -0.357609D+01
      6   0.142449D+01 -0.124525D+01  0.773553D+01  0.586733D+00  0.570966D+01
               126           127           128           129           130 
      1  -0.289356D+02 -0.778850D+01  0.176625D+02  0.380754D+00  0.923995D+01
      2  -0.216094D+02  0.111987D+02 -0.248167D+02  0.758757D+00 -0.132601D+02
      3   0.505451D+02 -0.341017D+01  0.715421D+01 -0.113951D+01  0.402015D+01
      4  -0.228024D+01 -0.639296D+01  0.368355D+01  0.160180D+01  0.641084D+01
      5   0.258373D+02 -0.535143D+00  0.138755D+01  0.139315D+01  0.194948D+01
      6  -0.570842D+00  0.319623D-01  0.333959D+00 -0.244439D+01  0.430760D+00
               131           132           133           134           135 
      1  -0.256285D+02 -0.538071D+00 -0.249782D+01  0.416835D+01 -0.351896D+01
      2   0.386056D+02  0.692858D+00  0.328610D+01 -0.517879D+01  0.337065D+01
      3  -0.129771D+02 -0.154787D+00 -0.788283D+00  0.101043D+01  0.148302D+00
      4  -0.576696D+00  0.113780D+01  0.226572D+00  0.342541D+00  0.782598D+00
      5   0.307563D+00  0.404375D+00  0.289276D+01  0.119202D+01 -0.757486D+00
      6   0.850936D+00  0.607940D+01 -0.580836D+00  0.681319D+01 -0.166955D+01
               136           137           138           139           140 
      1   0.826388D+01  0.384233D+00  0.157598D+01  0.140618D+01 -0.651008D+01
      2   0.243284D+01  0.739391D+01  0.265429D+01  0.470994D+01  0.159244D+02
      3  -0.106967D+02 -0.777814D+01 -0.423027D+01 -0.611612D+01 -0.941428D+01
      4   0.219115D+02  0.210224D+02  0.122341D+02  0.159408D+02  0.191145D+02
      5   0.131588D+02  0.101511D+02  0.130096D+02  0.699001D+01  0.979560D+01
      6   0.106051D+02  0.110855D+02  0.116742D+02  0.794941D+01  0.137837D+02
               141           142           143           144           145 
      1  -0.349674D+01  0.184690D+00 -0.580371D+01 -0.376126D+01 -0.307387D+01
      2   0.713740D+01  0.298918D+01  0.913106D+01  0.185304D+01  0.418229D+01
      3  -0.364067D+01 -0.317387D+01 -0.332735D+01  0.190822D+01 -0.110842D+01
      4   0.108484D+02  0.131866D+02  0.147024D+02  0.137786D+02 -0.141637D+01
      5   0.743719D+01  0.123411D+02  0.109884D+02  0.143537D+02 -0.163640D-01
      6   0.108673D+02  0.115395D+02  0.150112D+02  0.165435D+02  0.159681D-02
               146           147           148           149           150 
      1  -0.544746D+01  0.778909D+00 -0.333635D+01 -0.250861D+02  0.394872D+01
      2   0.665063D+01 -0.154780D+01  0.294442D+01  0.483370D+02 -0.116702D+02
      3  -0.120317D+01  0.768895D+00  0.391925D+00 -0.232509D+02  0.772147D+01
      4   0.587028D+01  0.491277D+00  0.660655D+01 -0.199304D+02  0.312352D+01
      5   0.174843D+01  0.243971D+01  0.158850D+01  0.534358D+01 -0.479541D+01
      6  -0.106734D+01  0.404691D-01 -0.114121D+01 -0.125730D+01  0.806790D+01
               151           152           153           154           155 
      1   0.252158D+01  0.119098D+02 -0.449154D+01 -0.979988D+01 -0.538496D+01
      2  -0.150281D+01 -0.224647D+02  0.780404D+01 -0.225258D+01  0.619597D+01
      3  -0.101877D+01  0.105549D+02 -0.331250D+01  0.120525D+02 -0.811008D+00
      4  -0.201149D+01  0.103328D+02 -0.516753D+01  0.135836D+02 -0.592323D+00
      5   0.216130D+01 -0.579003D+01  0.340350D+01  0.579140D+01  0.508532D+00
      6  -0.722896D+00  0.759541D+01 -0.671224D+01  0.510614D+01  0.374161D+01
               156           157           158           159           160 
      1  -0.114541D+02  0.921312D+00 -0.212691D+01  0.359258D+01 -0.893692D+01
      2  -0.541209D+00  0.174410D+01  0.252884D+01 -0.752799D+00 -0.705286D+00
      3   0.119953D+02 -0.266541D+01 -0.401931D+00 -0.283978D+01  0.964221D+01
      4   0.641443D+01 -0.115001D+00  0.142020D+01  0.471074D+00  0.799518D+01
      5   0.348822D+01  0.675491D+00  0.183437D+01  0.798999D+00  0.562994D+01
      6   0.609727D+01  0.206261D+01 -0.141626D+01  0.146458D+01  0.312550D+01
               161           162           163           164           165 
      1   0.200585D+00 -0.101435D+02  0.104210D+02  0.312367D+00 -0.215796D+01
      2  -0.912236D+00 -0.265267D+01 -0.104029D+02 -0.150526D+01  0.777246D+01
      3   0.711650D+00  0.127961D+02 -0.181080D-01  0.119290D+01 -0.561450D+01
      4   0.309733D+00  0.246245D+01 -0.187217D+02  0.159314D+02  0.155721D+02
      5  -0.180804D+01  0.202097D-01 -0.240341D+02  0.124995D+02  0.232205D+02
      6   0.402967D+01  0.665066D+01  0.131138D+02 -0.118202D+02 -0.141833D+02
               166           167           168           169           170 
      1   0.837589D+00 -0.349369D+01 -0.207688D+01 -0.369126D+01 -0.364748D+01
      2  -0.195017D+01  0.618849D+01  0.106509D+01  0.835482D+01 -0.635473D+00
      3   0.111258D+01 -0.269480D+01  0.101178D+01 -0.466356D+01  0.428295D+01
      4   0.954734D+01 -0.107576D+02 -0.782182D+01  0.153545D+02 -0.116444D+02
      5   0.529593D+01 -0.724863D+01 -0.590240D+01  0.220911D+02 -0.134054D+02
      6  -0.736796D+01  0.799006D+01  0.980171D+01 -0.130419D+02  0.146059D+02
               171           172           173           174           175 
      1  -0.660360D+01  0.698324D+02 -0.139783D+02 -0.200882D+02 -0.131190D+02
      2  -0.978704D+01 -0.331095D+02  0.392388D+01  0.856244D+01  0.269441D+01
      3   0.163906D+02 -0.367229D+02  0.100544D+02  0.115258D+02  0.104246D+02
      4  -0.159977D+02 -0.238883D+02  0.148912D+02  0.853162D+01  0.194041D+02
      5  -0.279644D+02 -0.206437D+02  0.650239D+01  0.165972D+02  0.556610D+01
      6   0.214920D+02  0.481009D+01 -0.137658D+01 -0.329223D+01 -0.169781D+01
               176           177           178           179           180 
      1   0.962089D+01  0.572410D+01 -0.454706D+02  0.111367D+02  0.164689D+02
      2  -0.227620D+01 -0.175533D+01  0.217504D+02 -0.408150D+01 -0.956846D+01
      3  -0.734469D+01 -0.396877D+01  0.237202D+02 -0.705518D+01 -0.690047D+01
      4  -0.119899D+02 -0.323139D+01  0.181808D+02 -0.102321D+02 -0.860807D+01
      5  -0.226202D+01 -0.483442D+01  0.251542D+02 -0.772675D+01 -0.204221D+02
      6   0.740170D+00  0.429058D+01 -0.533248D+01  0.454214D+01  0.482842D+01
               181           182           183           184           185 
      1   0.215387D+02  0.101207D+02  0.760650D+01  0.236529D+02  0.907397D+01
      2  -0.132580D+02 -0.716821D+01 -0.686846D+01 -0.151444D+02 -0.621994D+01
      3  -0.828078D+01 -0.295246D+01 -0.738043D+00 -0.850853D+01 -0.285403D+01
      4   0.956222D+01  0.104191D+02  0.802319D+01  0.146699D+02  0.227005D+02
      5   0.107780D+02  0.942131D+01  0.124616D+02  0.162494D+02  0.152099D+02
      6   0.309595D+01  0.154437D+01  0.113554D+01  0.239814D+01  0.467812D+01
               186           187           188           189           190 
      1   0.111541D+02  0.110500D+02  0.764166D+01  0.953232D+01  0.215166D+01
      2  -0.108208D+02 -0.103212D+02 -0.841867D+01 -0.123701D+02 -0.423611D+00
      3  -0.333298D+00 -0.728766D+00  0.777007D+00  0.283782D+01 -0.172805D+01
      4   0.146383D+02  0.862019D+01  0.139458D+02  0.872866D+01 -0.374304D+01
      5   0.164275D+02  0.190884D+02  0.102940D+02  0.217599D+02  0.156444D+00
      6   0.472998D+01  0.108214D+01  0.582413D+01  0.236776D+01 -0.184762D+01
               191           192           193           194           195 
      1  -0.695255D+01  0.302067D+01 -0.964413D+01 -0.830439D+01  0.785641D+01
      2   0.437648D+01 -0.121736D+01  0.261711D+01  0.139090D+02 -0.524747D+01
      3   0.257607D+01 -0.180331D+01  0.702702D+01 -0.560461D+01 -0.260894D+01
      4   0.235235D+01  0.554942D+00  0.159289D+02 -0.340402D+02  0.209446D+02
      5   0.155023D+00  0.178671D+01 -0.744350D+01  0.206543D+02 -0.184133D+02
      6  -0.155575D+01  0.105481D+01  0.496398D+01 -0.180496D+02  0.151990D+02
               196           197           198           199           200 
      1   0.409716D+01  0.854944D+01 -0.476078D+01  0.372548D+00  0.192727D+01
      2  -0.290785D+01 -0.547981D+01 -0.173566D+01 -0.127075D+01 -0.798475D-01
      3  -0.118932D+01 -0.306962D+01  0.649644D+01  0.898198D+00 -0.184742D+01
      4  -0.631390D+01  0.213613D+02 -0.172383D+02  0.403720D+01  0.553421D+01
      5   0.126657D+02 -0.173313D+02  0.230190D+02 -0.174288D+01 -0.228565D+01
      6  -0.430887D+01  0.151135D+02 -0.150540D+02 -0.228231D+01 -0.923495D+00
               201           202           203           204           205 
      1  -0.142727D+01  0.233345D+01 -0.116779D+02  0.626417D+01 -0.750312D+00
      2   0.585730D+00 -0.109955D+00  0.100950D+02 -0.206888D+01  0.353489D+01
      3   0.841535D+00 -0.222349D+01  0.158289D+01 -0.419529D+01 -0.278458D+01
      4  -0.128489D+01  0.465378D+01  0.817406D+01 -0.338675D+01 -0.615707D+00
      5   0.195268D+01 -0.276795D+01 -0.500712D+01  0.322017D+01  0.212479D+01
      6   0.566395D+00 -0.124918D+01 -0.112438D+02  0.679608D+01  0.217142D+01
               206           207           208           209           210 
      1   0.537153D+01 -0.219671D+01 -0.121801D+01 -0.982973D+00  0.459280D+00
      2  -0.225388D+01  0.728798D+00  0.280506D+01  0.382111D+00 -0.153309D+00
      3  -0.311765D+01  0.146791D+01 -0.158705D+01  0.600862D+00 -0.305972D+00
      4  -0.139154D+01  0.101299D+01 -0.640402D+00  0.573848D+01 -0.131388D+01
      5   0.234606D+01 -0.834484D+00  0.933231D+00 -0.746915D+00  0.697142D+00
      6   0.528242D+01 -0.440193D+01 -0.673027D+00  0.114348D+01 -0.142069D+00
               211           212           213           214           215 
      1  -0.554170D+01 -0.200617D+02  0.478256D+01  0.305438D+01  0.668372D+01
      2   0.309417D+01  0.250321D+02 -0.439500D+01 -0.448325D+00 -0.667076D+01
      3   0.244753D+01 -0.497048D+01 -0.387555D+00 -0.260606D+01 -0.129642D-01
      4   0.271586D+01 -0.178200D+02  0.411508D+01 -0.159766D+01  0.628090D+01
      5  -0.751916D+00  0.329906D+01 -0.230295D+01 -0.494525D+00 -0.288984D+01
      6   0.853263D+00 -0.350817D+01  0.490536D+01  0.144162D+01  0.465693D+01
               216           217           218           219           220 
      1  -0.507881D+01  0.590183D+01  0.558851D+01 -0.622706D+01  0.402327D+01
      2   0.368447D+01 -0.446179D+01 -0.421830D+01  0.200044D+01 -0.181265D+01
      3   0.139433D+01 -0.144004D+01 -0.137021D+01  0.422661D+01 -0.221062D+01
      4  -0.353766D+01  0.224186D+01 -0.304082D+01 -0.889411D+00  0.272357D+01
      5   0.219885D+01 -0.337950D+01  0.404622D+00  0.193721D+00  0.331480D+00
      6  -0.338814D+01 -0.196017D+01  0.108524D+01 -0.232258D+01 -0.876242D+00
               221           222           223           224           225 
      1  -0.698546D+01  0.395254D+01 -0.933437D+01  0.384288D+01 -0.165369D+02
      2   0.527632D+01 -0.318534D+01  0.614065D+01 -0.120759D+01 -0.811582D+01
      3   0.170914D+01 -0.767197D+00  0.319373D+01 -0.263529D+01  0.246527D+02
      4   0.632225D+01 -0.506593D+01 -0.105245D+02 -0.149707D+02  0.130244D+02
      5  -0.539114D+01  0.595353D+01  0.121538D+02  0.149450D+02 -0.486611D+02
      6  -0.411054D+01  0.847798D+01  0.442719D+01  0.123356D+02 -0.237218D+02
               226           227           228           229           230 
      1   0.893278D+02  0.208612D+02  0.571535D+01  0.742819D+01  0.736333D+01
      2  -0.404870D+02 -0.601350D+01 -0.218818D+01  0.451078D+00  0.214481D+00
      3  -0.488408D+02 -0.148477D+02 -0.352717D+01 -0.787927D+01 -0.757781D+01
      4   0.431794D+02  0.221421D+02  0.319737D+01  0.150854D+02  0.978093D+01
      5   0.124837D+01  0.763689D+00  0.120470D+02  0.890985D+00  0.190445D+01
      6   0.273692D+01  0.340643D+00  0.416003D+01 -0.233579D+00  0.103915D+01
               231           232           233           234           235 
      1   0.509519D+00  0.138903D+02  0.330523D+01  0.778204D+01 -0.554119D+01
      2   0.910995D+00 -0.650876D+01  0.174648D+00 -0.488425D+01  0.601725D+01
      3  -0.142051D+01 -0.738155D+01 -0.347988D+01 -0.289778D+01 -0.476057D+00
      4   0.242885D+01  0.795313D+01  0.573136D+01  0.643038D+01 -0.690994D+00
      5   0.199147D+01  0.123969D+02  0.498870D+01  0.195898D+01  0.455450D+01
      6   0.201723D+01  0.427601D+01  0.309445D+01  0.576123D+00  0.301628D+01
               236           237           238           239           240 
      1   0.160832D+02  0.793623D+01  0.165224D+02 -0.231845D+02 -0.785985D+01
      2  -0.171027D+02 -0.610473D+01 -0.107603D+02  0.308863D+02  0.937899D+01
      3   0.101948D+01 -0.183150D+01 -0.576209D+01 -0.770175D+01 -0.151914D+01
      4  -0.103968D+02 -0.222613D-01  0.336243D+01  0.233934D+02  0.585210D+01
      5  -0.186361D+01 -0.523822D+01 -0.346191D+01  0.733028D+01  0.912980D+01
      6  -0.372106D+01 -0.468437D+01 -0.188533D+01  0.745626D+01  0.749197D+01
               241           242           243 
      1   0.931185D+01 -0.947579D+01 -0.111425D+02
      2  -0.472086D+01  0.127620D+02  0.746814D+01
      3  -0.459098D+01 -0.328617D+01  0.367435D+01
      4   0.336481D+01  0.126598D+02  0.768729D+01
      5  -0.247524D+00  0.964876D+01  0.458261D+01
      6  -0.132209D+01  0.103429D+02  0.587478D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133584D+03      0.197950D+02      0.220250D+02
   aniso      0.637736D+02      0.945027D+01      0.105148D+02
   xx         0.173181D+03      0.256628D+02      0.285538D+02
   yx        -0.542979D+01     -0.804612D+00     -0.895252D+00
   yy         0.122332D+03      0.181277D+02      0.201698D+02
   zx         0.761763D+01      0.112882D+01      0.125598D+01
   zy        -0.437513D+01     -0.648328D+00     -0.721362D+00
   zz         0.105238D+03      0.155946D+02      0.173514D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.133584D+03      0.197950D+02      0.220250D+02
   aniso      0.637736D+02      0.945027D+01      0.105148D+02
   xx         0.116880D+03      0.173198D+02      0.192709D+02
   yx        -0.132688D+02     -0.196623D+01     -0.218773D+01
   yy         0.118967D+03      0.176290D+02      0.196150D+02
   zx        -0.185224D+02     -0.274474D+01     -0.305394D+01
   zy         0.998651D+01      0.147985D+01      0.164655D+01
   zz         0.164904D+03      0.244363D+02      0.271890D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-25\Freq\RB3LYP\Gen\C10H16O1\PIERPA\12-Aug-2021\0\\#P 
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 0209,0.00000445,0.00000030,0.00000022,0.00000173,0.00000033,-0.0000009
 7,0.00000547\\\@


 THE CHYMISTS ARE A STRANGE CLASS OF MORTALS IMPELLED
 BY AN ALMOST INSANE IMPULSE TO SEEK THEIR PLEASURE
 AMONG SMOKE AND VAPOR, SOOT AND FLAME, POISONS AND
 POVERTY; YET AMONG ALL THESE EVILS I SEEM TO LIVE
 SO SWEETLY, THAT I MAY DIE IF I WOULD CHANGE PLACES
 WITH THE PERSIAN KING.
   --  JOHANN JOACHIM BECHER, 1635-1682
 ACTA LABORATORII CHYMICA MONACENSIS, 1669
 Job cpu time:       0 days  6 hours 10 minutes 44.2 seconds.
 Elapsed time:       0 days  0 hours 46 minutes 28.1 seconds.
 File lengths (MBytes):  RWF=    477 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:41:25 2021.
